[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H15BrN2O5S MolecularWeight: 427.2697

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C16H15BrN2O5S/c1-3-13-9(2)6-14(25-13)16(21)24-8-15(20)18-12-5-4-10(19(22)23)7-11(12)17/h4-7H,3,8H2,1-2H3,(H,18,20)