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

Systemtic Name: 2-acetyloxybenzoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 2-acetoxybenzoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 2-acetyloxybenzoic acid; 1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 2-acetyloxybenzoic acid; 1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 2-acetoxybenzoic acid; antipyrine Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H12N2O.C9H8O4/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h3-8H,1-2H3;2-5H,1H3,(H,11,12)