[2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-keto-ethyl] ester Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O5/c23-17-9-6-15(7-10-17)21(14-4-2-1-3-5-14)25-20(27)13-31-22(28)16-8-11-18(24)19(12-16)26(29)30/h1-12,21H,13,24H2,(H,25,27)