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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-(2,4-dinitrophenyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(2,4-dinitrophenyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(2,4-dinitrophenyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-(2,4-dinitrophenyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(2,4-dinitrophenyl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H16BrN3O7S MolecularWeight: 534.33664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN3O7S/c1-2-32-21(27)19-16(12-3-6-14(22)7-4-12)11-33-20(19)23-18(26)9-13-5-8-15(24(28)29)10-17(13)25(30)31/h3-8,10-11H,2,9H2,1H3,(H,23,26)