4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzoic acid Openeye Name: 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzoic acid CAS Name: 4-methoxy-3-[(3-nitro-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzoic acid Traditional Name: 4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]benzoic acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)CN2C=CC(=N2)[N+](=O)[O-]

InChI

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