methyl 2-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H16N4O6S MolecularWeight: 368.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H16N4O6S/c1-7-5-9(14(20)24-4)13(25-7)15-11(19)8(2)17-6-10(18(21)22)12(16-17)23-3/h5-6,8H,1-4H3,(H,15,19)