[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C23H25ClN2O6 MolecularWeight: 460.9074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H25ClN2O6/c1-2-3-4-5-16-6-8-17(9-7-16)21(27)12-13-23(29)32-15-22(28)25-19-14-18(24)10-11-20(19)26(30)31/h6-11,14H,2-5,12-13,15H2,1H3,(H,25,28)