[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H14BrN3O6S MolecularWeight: 456.26786

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)CCNC(=O)C2=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O6S/c17-12-7-11(20(24)25)1-2-13(12)19-14(21)8-26-15(22)3-5-18-16(23)10-4-6-27-9-10/h1-2,4,6-7,9H,3,5,8H2,(H,18,23)(H,19,21)