ethyl 4-cyano-3-methyl-5-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C17H14N4O7S MolecularWeight: 418.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C17H14N4O7S/c1-4-28-17(23)14-8(2)11(7-18)16(29-14)19-15(22)10-5-12(20(24)25)9(3)13(6-10)21(26)27/h5-6H,4H2,1-3H3,(H,19,22)