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

Systemtic Name: ethyl 2-[2-(2,4-dinitrophenyl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2,4-dinitrophenyl)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H17N3O7S/c1-3-12-9-13(17(22)27-4-2)16(28-12)18-15(21)7-10-5-6-11(19(23)24)8-14(10)20(25)26/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)