[4-[2-[4-[(4-methyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] benzoate

Systemtic Name: [4-[2-[4-[(4-methyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] benzoate Openeye Name: [4-[2-[4-(4-methyl-3-nitro-anilino)-4-oxo-butanoyl]oxyacetyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[4-(4-methyl-3-nitroanilino)-1,4-dioxobutoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(4-methyl-3-nitroanilino)-4-oxobutanoyl]oxyacetyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[4-keto-4-(4-methyl-3-nitro-anilino)butanoyl]oxyacetyl]phenyl] ester Formula: C26H22N2O8 MolecularWeight: 490.46148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H22N2O8/c1-17-7-10-20(15-22(17)28(33)34)27-24(30)13-14-25(31)35-16-23(29)18-8-11-21(12-9-18)36-26(32)19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,27,30)