4-[(1-methylpyrazol-4-yl)methoxy]-3-nitro-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)COC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)COC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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