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

Systemtic Name: ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-5-propanoyloxy-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-propanoyloxy-thiophene-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methyl-5-(1-oxopropoxy)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-propanoyloxythiophene-3-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-propionyloxy-thiophene-3-carboxylic acid ethyl ester Formula: C18H17N3O9S MolecularWeight: 451.40728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCC(=O)OC1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C18H17N3O9S/c1-4-13(22)30-18-9(3)14(17(24)29-5-2)16(31-18)19-15(23)10-6-11(20(25)26)8-12(7-10)21(27)28/h6-8H,4-5H2,1-3H3,(H,19,23)