4-methoxy-3-[(5-methyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 4-methoxy-3-[(5-methyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid Openeye Name: 4-methoxy-3-[(5-methyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid CAS Name: 4-methoxy-3-[(5-methyl-4-nitro-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 4-methoxy-3-[(5-methyl-4-nitropyrazol-1-yl)methyl]benzoic acid Traditional Name: 4-methoxy-3-[(5-methyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC2=C(C=CC(=C2)C(=O)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1CC2=C(C=CC(=C2)C(=O)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-8-11(16(19)20)6-14-15(8)7-10-5-9(13(17)18)3-4-12(10)21-2/h3-6H,7H2,1-2H3,(H,17,18)