ethyl 4-(4-bromophenyl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H14BrN3O7S MolecularWeight: 520.31006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14BrN3O7S/c1-2-31-20(26)17-16(11-3-5-13(21)6-4-11)10-32-19(17)22-18(25)12-7-14(23(27)28)9-15(8-12)24(29)30/h3-10H,2H2,1H3,(H,22,25)