[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C19H18BrN3O6 MolecularWeight: 464.26672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O6/c1-12-9-14(5-6-16(12)20)22-18(25)11-29-19(26)8-7-17(24)21-13-3-2-4-15(10-13)23(27)28/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)(H,22,25)