methyl 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylate

Systemtic Name: methyl 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylate Openeye Name: methyl 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylate CAS Name: 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitropyrazole-3-carboxylate Traditional Name: 1-(3,4-dimethylbenzyl)-5-methyl-4-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C(=C(C(=N2)C(=O)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C(=C(C(=N2)C(=O)OC)[N+](=O)[O-])C)C

InChI

InChI=1S/C15H17N3O4/c1-9-5-6-12(7-10(9)2)8-17-11(3)14(18(20)21)13(16-17)15(19)22-4/h5-7H,8H2,1-4H3