4-[2-(1-methylpyridin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one hydrate

Systemtic Name: 4-[2-(1-methylpyridin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one hydrate Openeye Name: 4-[2-(1-methyl-4-pyridylidene)ethylidene]cyclohexa-2,5-dien-1-one hydrate CAS Name: 4-[2-(1-methyl-4-pyridinylidene)ethylidene]-1-cyclohexa-2,5-dienone hydrate IUPAC Name: 4-[2-(1-methylpyridin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one hydrate Traditional Name: 4-[2-(1-methyl-4-pyridylidene)ethylidene]cyclohexa-2,5-dien-1-one hydrate Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1.O

Isomeric SMILES

CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1.O

InChI

InChI=1S/C14H13NO.H2O/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(16)7-5-12;/h2-11H,1H3;1H2