[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C14H10Br2N2O5S MolecularWeight: 478.1126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=C(S2)Br)Br

InChI

InChI=1S/C14H10Br2N2O5S/c1-7(23-14(20)11-6-8(15)12(16)24-11)13(19)17-9-4-2-3-5-10(9)18(21)22/h2-7H,1H3,(H,17,19)