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

Systemtic Name: [2-[[2-(cyclopentylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[2-[(cyclopentylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[2-(cyclopentylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c22-16-10-9-13(11-18(16)25(29)30)21(28)31-12-19(26)24-17-8-4-3-7-15(17)20(27)23-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12,22H2,(H,23,27)(H,24,26)