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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(4-bromoanilino)-4-oxo-butanoate CAS Name: 4-(4-bromoanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(4-bromoanilino)-4-oxobutanoate Traditional Name: 4-(4-bromoanilino)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H17BrN2O6 MolecularWeight: 449.25208

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O6/c1-12-2-3-13(10-16(12)22(26)27)17(23)11-28-19(25)9-8-18(24)21-15-6-4-14(20)5-7-15/h2-7,10H,8-9,11H2,1H3,(H,21,24)