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

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C11H9ClN4O5S MolecularWeight: 344.73096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C11H9ClN4O5S/c1-4-3-5(11(18)21-2)10(22-4)13-9(17)7-6(12)8(15-14-7)16(19)20/h3H,1-2H3,(H,13,17)(H,14,15)