[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] thiophene-3-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] thiophene-3-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H9BrN2O5S MolecularWeight: 385.18996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN2O5S/c14-10-5-9(16(19)20)1-2-11(10)15-12(17)6-21-13(18)8-3-4-22-7-8/h1-5,7H,6H2,(H,15,17)