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

Systemtic Name: 1-[(3,4-dimethylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(3,4-dimethylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(3,4-dimethylphenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3,4-dimethylphenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(3,4-dimethylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N3O5/c1-8-3-4-10(5-9(8)2)21-7-15-6-11(16(19)20)12(14-15)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)