[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C13H9BrN2O5S MolecularWeight: 385.18996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])Br

InChI

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