4-[(E)-oxidanyl-(6-phenethyl-1H-pyridin-2-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[(E)-oxidanyl-(6-phenethyl-1H-pyridin-2-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-[(E)-hydroxy-(6-phenethyl-1H-pyridin-2-ylidene)methyl]-1,2-benzoquinone CAS Name: 4-[(E)-hydroxy-(6-phenethyl-1H-pyridin-2-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-[(E)-hydroxy-(6-phenethyl-1H-pyridin-2-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione Traditional Name: 4-[(E)-hydroxy-(6-phenethyl-1H-pyridin-2-ylidene)methyl]-o-benzoquinone Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC(=C(C3=CC(=O)C(=O)C=C3)O)N2

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C/C(=C(/C3=CC(=O)C(=O)C=C3)\O)/N2

InChI

InChI=1S/C20H17NO3/c22-18-12-10-15(13-19(18)23)20(24)17-8-4-7-16(21-17)11-9-14-5-2-1-3-6-14/h1-8,10,12-13,21,24H,9,11H2/b20-17+