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

Systemtic Name: [2-[[2-(cyclopentylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[2-[(cyclopentylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-[2-(cyclopentylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O6/c1-26(2)19-12-11-15(13-20(19)27(31)32)23(30)33-14-21(28)25-18-10-6-5-9-17(18)22(29)24-16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,24,29)(H,25,28)