1-[(2-methoxy-5-nitro-phenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2-methoxy-5-nitrophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(2-methoxy-5-nitro-benzyl)pyrazole-4-carboxylic acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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