ethanoic acid; 2-ethanoyl-5-phenylazanyl-1H-pyrazol-3-one

Systemtic Name: ethanoic acid; 2-ethanoyl-5-phenylazanyl-1H-pyrazol-3-one Openeye Name: acetic acid; 2-acetyl-5-anilino-1H-pyrazol-3-one CAS Name: acetic acid; 2-acetyl-5-anilino-1H-pyrazol-3-one IUPAC Name: acetic acid; 2-acetyl-5-anilino-1H-pyrazol-3-one Traditional Name: acetic acid; 2-acetyl-5-anilino-3-pyrazolin-3-one Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=O)C=C(N1)NC2=CC=CC=C2.CC(=O)O

Isomeric SMILES

CC(=O)N1C(=O)C=C(N1)NC2=CC=CC=C2.CC(=O)O

InChI

InChI=1S/C11H11N3O2.C2H4O2/c1-8(15)14-11(16)7-10(13-14)12-9-5-3-2-4-6-9;1-2(3)4/h2-7,12-13H,1H3;1H3,(H,3,4)