[1-cyclohexyl-2-cyclohexylimino-3-(4-nitrophenyl)-4-oxidanylidene-azetidin-3-yl] 4-chloranylbenzoate

Systemtic Name: [1-cyclohexyl-2-cyclohexylimino-3-(4-nitrophenyl)-4-oxidanylidene-azetidin-3-yl] 4-chloranylbenzoate Openeye Name: [1-cyclohexyl-2-cyclohexylimino-3-(4-nitrophenyl)-4-oxo-azetidin-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-cyclohexyl-2-cyclohexylimino-3-(4-nitrophenyl)-4-oxo-3-azetidinyl] ester IUPAC Name: [1-cyclohexyl-2-cyclohexylimino-3-(4-nitrophenyl)-4-oxoazetidin-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-cyclohexyl-2-cyclohexylimino-4-keto-3-(4-nitrophenyl)azetidin-3-yl] ester Formula: C28H30ClN3O5 MolecularWeight: 524.0079

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2C(C(=O)N2C3CCCCC3)(C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)N=C2C(C(=O)N2C3CCCCC3)(C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H30ClN3O5/c29-21-15-11-19(12-16-21)25(33)37-28(20-13-17-24(18-14-20)32(35)36)26(30-22-7-3-1-4-8-22)31(27(28)34)23-9-5-2-6-10-23/h11-18,22-23H,1-10H2