[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[[4-(2-phenylphenoxy)phenyl]amino]butanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[[4-(2-phenylphenoxy)phenyl]amino]butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-oxo-4-[4-(2-phenylphenoxy)anilino]butanoate CAS Name: 4-oxo-4-[4-(2-phenylphenoxy)anilino]butanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-oxo-4-[4-(2-phenylphenoxy)anilino]butanoate Traditional Name: 4-keto-4-[4-(2-phenylphenoxy)anilino]butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C31H26N2O7 MolecularWeight: 538.54734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H26N2O7/c1-21-11-12-23(19-27(21)33(37)38)28(34)20-39-31(36)18-17-30(35)32-24-13-15-25(16-14-24)40-29-10-6-5-9-26(29)22-7-3-2-4-8-22/h2-16,19H,17-18,20H2,1H3,(H,32,35)