2-[3-ethyl-1-[[[4-[nitro(phenyl)methoxy]carbonylphenyl]-diphenyl-$l^{5}-phosphanylidene]methyl]-4-oxidanylidene-azetidin-2-yl]ethanoic acid; 2-nitro-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one

Systemtic Name: 2-[3-ethyl-1-[[[4-[nitro(phenyl)methoxy]carbonylphenyl]-diphenyl-$l^{5}-phosphanylidene]methyl]-4-oxidanylidene-azetidin-2-yl]ethanoic acid; 2-nitro-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Openeye Name: 2-[3-ethyl-1-[[[4-[nitro(phenyl)methoxy]carbonylphenyl]-diphenyl-$l^{5}-phosphanylidene]methyl]-4-oxo-azetidin-2-yl]acetic acid; 2-nitro-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one CAS Name: 2-[3-ethyl-1-[[[4-[[nitro(phenyl)methoxy]-oxomethyl]phenyl]-diphenylphosphoranylidene]methyl]-4-oxo-2-azetidinyl]acetic acid; 2-nitro-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one IUPAC Name: 2-[3-ethyl-1-[[[4-[nitro(phenyl)methoxy]carbonylphenyl]-diphenyl-$l^{5}-phosphanylidene]methyl]-4-oxoazetidin-2-yl]acetic acid; 2-nitro-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Traditional Name: 2-[3-ethyl-4-keto-1-[[[4-[nitro(phenyl)methoxy]carbonylphenyl]-diphenyl-phosphoranylidene]methyl]azetidin-2-yl]acetic acid; 2-nitro-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Formula: C42H36N3O12P MolecularWeight: 805.721901

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C1=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC(C5=CC=CC=C5)[N+](=O)[O-])CC(=O)O.C1=CC2=CC=C1C(OC(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CCC1C(N(C1=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC(C5=CC=CC=C5)[N+](=O)[O-])CC(=O)O.C1=CC2=CC=C1C(OC(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C34H31N2O7P.C8H5NO5/c1-2-29-30(22-31(37)38)35(32(29)39)23-44(26-14-8-4-9-15-26,27-16-10-5-11-17-27)28-20-18-25(19-21-28)34(40)43-33(36(41)42)24-12-6-3-7-13-24;10-8-13-6-3-1-5(2-4-6)7(14-8)9(11)12/h3-21,23,29-30,33H,2,22H2,1H3,(H,37,38);1-4,7H