[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15BrN2O6S MolecularWeight: 455.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O6S/c1-10-2-6-15(27-10)14(21)5-7-17(23)26-9-16(22)19-13-4-3-11(20(24)25)8-12(13)18/h2-4,6,8H,5,7,9H2,1H3,(H,19,22)