methyl 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxylate Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxylic acid methyl ester Formula: C11H13N5O4 MolecularWeight: 279.25202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O4/c1-7-10(16(18)19)8(2)15(12-7)6-14-5-4-9(13-14)11(17)20-3/h4-5H,6H2,1-3H3