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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 4-(4-nitroanilino)-4-oxo-butanoate CAS Name: 4-(4-nitroanilino)-4-oxobutanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-(4-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-nitroanilino)butyric acid [2-(4-bromo-2-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)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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