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

Systemtic Name: 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3,4-dimethylphenyl)methyl]-5-methyl-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-(3,4-dimethylbenzyl)-5-methyl-4-nitro-pyrazole-3-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c1-8-4-5-11(6-9(8)2)7-16-10(3)13(17(20)21)12(15-16)14(18)19/h4-6H,7H2,1-3H3,(H,18,19)