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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H16BrN3O6S MolecularWeight: 470.29444

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)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O6S/c18-13-8-12(21(25)26)3-4-14(13)20-15(22)9-27-16(23)2-1-6-19-17(24)11-5-7-28-10-11/h3-5,7-8,10H,1-2,6,9H2,(H,19,24)(H,20,22)