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

Systemtic Name: [2-[(4-bromanyl-3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(4-nitroanilino)-4-oxo-butanoate CAS Name: 4-(4-nitroanilino)-4-oxobutanoic acid [2-(4-bromo-3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-chloro-2-methylanilino)-2-oxoethyl] 4-(4-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-nitroanilino)butyric acid [2-(4-bromo-3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C19H17BrClN3O6 MolecularWeight: 498.71178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1Cl)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrClN3O6/c1-11-15(7-6-14(20)19(11)21)23-17(26)10-30-18(27)9-8-16(25)22-12-2-4-13(5-3-12)24(28)29/h2-7H,8-10H2,1H3,(H,22,25)(H,23,26)