4-(5-cyclopropyl-5-methyl-2-oxidanyl-4-oxidanylidene-1H-pyrrol-3-yl)benzene-1,3-dicarbonitrile

Systemtic Name: 4-(5-cyclopropyl-5-methyl-2-oxidanyl-4-oxidanylidene-1H-pyrrol-3-yl)benzene-1,3-dicarbonitrile Openeye Name: 4-(5-cyclopropyl-2-hydroxy-5-methyl-4-oxo-1H-pyrrol-3-yl)benzene-1,3-dicarbonitrile CAS Name: 4-(5-cyclopropyl-2-hydroxy-5-methyl-4-oxo-1H-pyrrol-3-yl)benzene-1,3-dicarbonitrile IUPAC Name: 4-(5-cyclopropyl-2-hydroxy-5-methyl-4-oxo-1H-pyrrol-3-yl)benzene-1,3-dicarbonitrile Traditional Name: 4-(5-cyclopropyl-2-hydroxy-4-keto-5-methyl-2-pyrrolin-3-yl)isophthalonitrile Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(N1)O)C2=C(C=C(C=C2)C#N)C#N)C3CC3

Isomeric SMILES

CC1(C(=O)C(=C(N1)O)C2=C(C=C(C=C2)C#N)C#N)C3CC3

InChI

InChI=1S/C16H13N3O2/c1-16(11-3-4-11)14(20)13(15(21)19-16)12-5-2-9(7-17)6-10(12)8-18/h2,5-6,11,19,21H,3-4H2,1H3