[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H16BrClN2O7 MolecularWeight: 499.69654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrClN2O7/c1-29-17-6-2-11(20)8-13(17)16(24)5-7-19(26)30-10-18(25)22-12-3-4-14(21)15(9-12)23(27)28/h2-4,6,8-9H,5,7,10H2,1H3,(H,22,25)