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

Systemtic Name: 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carbonyl chloride Openeye Name: 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carbonyl chloride CAS Name: 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-3-pyrazolecarbonyl chloride IUPAC Name: 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitropyrazole-3-carbonyl chloride Traditional Name: 1-(3,4-dimethylbenzyl)-5-methyl-4-nitro-pyrazole-3-carbonyl chloride Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O3/c1-8-4-5-11(6-9(8)2)7-17-10(3)13(18(20)21)12(16-17)14(15)19/h4-6H,7H2,1-3H3