methyl 5-methyl-2-[2-(3-nitropyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[2-(3-nitropyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2C=CC(=N2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H12N4O5S/c1-7-5-8(12(18)21-2)11(22-7)13-10(17)6-15-4-3-9(14-15)16(19)20/h3-5H,6H2,1-2H3,(H,13,17)