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

Systemtic Name: 1-[(3-methylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(3-methylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(3-methylphenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3-methylphenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(3-methylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c1-8-3-2-4-9(5-8)20-7-14-6-10(15(18)19)11(13-14)12(16)17/h2-6H,7H2,1H3,(H,16,17)