3-(3,3-dimethyl-1-oxidanylidene-4H-isochromen-4-yl)imidazole-4-carbonitrile

Systemtic Name: 3-(3,3-dimethyl-1-oxidanylidene-4H-isochromen-4-yl)imidazole-4-carbonitrile Openeye Name: 3-(3,3-dimethyl-1-oxo-isochroman-4-yl)imidazole-4-carbonitrile CAS Name: 3-(3,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)-4-imidazolecarbonitrile IUPAC Name: 3-(3,3-dimethyl-1-oxo-4H-isochromen-4-yl)imidazole-4-carbonitrile Traditional Name: 3-(1-keto-3,3-dimethyl-isochroman-4-yl)imidazole-4-carbonitrile Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2C(=O)O1)N3C=NC=C3C#N)C

Isomeric SMILES

CC1(C(C2=CC=CC=C2C(=O)O1)N3C=NC=C3C#N)C

InChI

InChI=1S/C15H13N3O2/c1-15(2)13(18-9-17-8-10(18)7-16)11-5-3-4-6-12(11)14(19)20-15/h3-6,8-9,13H,1-2H3