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

Systemtic Name: [4-[2-[4-[(4-methyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-[4-(4-methyl-3-nitro-anilino)-4-oxo-butanoyl]oxyacetyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-[4-keto-4-(4-methyl-3-nitro-anilino)butanoyl]oxyacetyl]phenyl] ester Formula: C27H24N2O8 MolecularWeight: 504.48806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O8/c1-17-3-6-20(7-4-17)27(33)37-22-11-8-19(9-12-22)24(30)16-36-26(32)14-13-25(31)28-21-10-5-18(2)23(15-21)29(34)35/h3-12,15H,13-14,16H2,1-2H3,(H,28,31)