ethanoic acid; (6E)-4-methyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: ethanoic acid; (6E)-4-methyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: acetic acid; (6E)-4-methyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: acetic acid; (6E)-4-methyl-6-(2-phenyl-1H-pyrazol-3-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: acetic acid; (6E)-4-methyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: acetic acid; (6E)-4-methyl-6-(2-phenyl-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CNN2C3=CC=CC=C3)C(=O)C=C1.CC(=O)O

Isomeric SMILES

CC1=C/C(=C\2/C=CNN2C3=CC=CC=C3)/C(=O)C=C1.CC(=O)O

InChI

InChI=1S/C16H14N2O.C2H4O2/c1-12-7-8-16(19)14(11-12)15-9-10-17-18(15)13-5-3-2-4-6-13;1-2(3)4/h2-11,17H,1H3;1H3,(H,3,4)/b15-14+;