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

Systemtic Name: ethyl 2-[2-(2,4-dinitrophenyl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2,4-dinitrophenyl)-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-4-29-19(24)17-13(7-11(2)3)10-30-18(17)20-16(23)8-12-5-6-14(21(25)26)9-15(12)22(27)28/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,23)