methyl 4,5-dimethyl-2-[(4-nitro-1H-pyrazol-5-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(4-nitro-1H-pyrazol-5-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(4-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=NN2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=NN2)[N+](=O)[O-])C

InChI

InChI=1S/C12H12N4O5S/c1-5-6(2)22-11(8(5)12(18)21-3)14-10(17)9-7(16(19)20)4-13-15-9/h4H,1-3H3,(H,13,15)(H,14,17)