benzoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: benzoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: benzoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: benzoic acid; 1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: benzoic acid; 1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: antipyrine; benzoic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H12N2O.C7H6O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;8-7(9)6-4-2-1-3-5-6/h3-8H,1-2H3;1-5H,(H,8,9)