2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzoic acid Openeye Name: 2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzoic acid CAS Name: 2-[(1,3-dimethyl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzoic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=NN(C=C1CNC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C13H15N3O2/c1-9-10(8-16(2)15-9)7-14-12-6-4-3-5-11(12)13(17)18/h3-6,8,14H,7H2,1-2H3,(H,17,18)