4-[3,3-diethyl-1-[(4-nitrophenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid

Systemtic Name: 4-[3,3-diethyl-1-[(4-nitrophenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[3,3-diethyl-1-[(4-nitrophenyl)carbamoyl]-4-oxo-azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[3,3-diethyl-1-[(4-nitroanilino)-oxomethyl]-4-oxo-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[3,3-diethyl-1-[(4-nitrophenyl)carbamoyl]-4-oxoazetidin-2-yl]oxybenzoic acid Traditional Name: 4-[3,3-diethyl-4-keto-1-[(4-nitrophenyl)carbamoyl]azetidin-2-yl]oxybenzoic acid Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(=O)O)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(=O)O)CC

InChI

InChI=1S/C21H21N3O7/c1-3-21(4-2)18(27)23(19(21)31-16-11-5-13(6-12-16)17(25)26)20(28)22-14-7-9-15(10-8-14)24(29)30/h5-12,19H,3-4H2,1-2H3,(H,22,28)(H,25,26)