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

Systemtic Name: methyl 4,5-dimethyl-2-[[5-nitro-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[5-nitro-2-(phenylmethyl)-3-pyrazolyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzyl-5-nitropyrazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N4O5S/c1-11-12(2)29-18(16(11)19(25)28-3)20-17(24)14-9-15(23(26)27)21-22(14)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,20,24)