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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H8BrClN2O5S MolecularWeight: 419.63502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrClN2O5S/c14-8-5-7(17(20)21)1-2-9(8)16-12(18)6-22-13(19)10-3-4-11(15)23-10/h1-5H,6H2,(H,16,18)