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

Systemtic Name: ethyl 2-[2-(2,4-dinitrophenyl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2,4-dinitrophenyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O7S/c1-2-31-21(26)19-16(13-6-4-3-5-7-13)12-32-20(19)22-18(25)10-14-8-9-15(23(27)28)11-17(14)24(29)30/h3-9,11-12H,2,10H2,1H3,(H,22,25)