5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbaldehyde ethanoate

Systemtic Name: 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbaldehyde ethanoate Openeye Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde acetate CAS Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxaldehyde acetate IUPAC Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde acetate Traditional Name: 5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carbaldehyde acetate Formula: C13H13N2O4- MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=O.CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=O.CC(=O)[O-]

InChI

InChI=1S/C11H10N2O2.C2H4O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9;1-2(3)4/h2-7,12H,1H3;1H3,(H,3,4)/p-1