[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl

InChI

InChI=1S/C20H17ClN4O6/c21-15-5-3-13(4-6-15)20(28)23-9-1-2-19(27)31-12-18(26)24-17-8-7-16(25(29)30)10-14(17)11-22/h3-8,10H,1-2,9,12H2,(H,23,28)(H,24,26)