3-[1-(4-methoxyphenyl)pyrazol-4-yl]-4-nitro-benzoic acid

Systemtic Name: 3-[1-(4-methoxyphenyl)pyrazol-4-yl]-4-nitro-benzoic acid Openeye Name: 3-[1-(4-methoxyphenyl)pyrazol-4-yl]-4-nitro-benzoic acid CAS Name: 3-[1-(4-methoxyphenyl)-4-pyrazolyl]-4-nitrobenzoic acid IUPAC Name: 3-[1-(4-methoxyphenyl)pyrazol-4-yl]-4-nitrobenzoic acid Traditional Name: 3-[1-(4-methoxyphenyl)pyrazol-4-yl]-4-nitro-benzoic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C=N2)C3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C=N2)C3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c1-25-14-5-3-13(4-6-14)19-10-12(9-18-19)15-8-11(17(21)22)2-7-16(15)20(23)24/h2-10H,1H3,(H,21,22)