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

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxybenzoic acid IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxybenzoic acid Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5/c1-8-13(17(20)21)9(2)16(15-8)7-11-6-10(14(18)19)4-5-12(11)22-3/h4-6H,7H2,1-3H3,(H,18,19)