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

Systemtic Name: 1-[(2-methyl-3-nitro-phenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(2-methyl-3-nitro-phenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2-methyl-3-nitrophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2-methyl-3-nitrophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(2-methyl-3-nitro-benzyl)pyrazole-4-carboxylic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c1-8-9(3-2-4-11(8)15(18)19)6-14-7-10(5-13-14)12(16)17/h2-5,7H,6H2,1H3,(H,16,17)