3,5-dimethyl-1-[(2-methyl-3-nitro-phenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-[(2-methyl-3-nitro-phenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-[(2-methyl-3-nitro-phenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[(2-methyl-3-nitrophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[(2-methyl-3-nitrophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 3,5-dimethyl-1-(2-methyl-3-nitro-benzyl)pyrazole-4-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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