4-(5-cyclopropyl-5-methyl-2-oxidanyl-4-oxidanylidene-1H-pyrrol-3-yl)-3-isocyano-benzenecarbonitrile

Systemtic Name: 4-(5-cyclopropyl-5-methyl-2-oxidanyl-4-oxidanylidene-1H-pyrrol-3-yl)-3-isocyano-benzenecarbonitrile Openeye Name: 4-(5-cyclopropyl-2-hydroxy-5-methyl-4-oxo-1H-pyrrol-3-yl)-3-isocyano-benzonitrile CAS Name: 4-(5-cyclopropyl-2-hydroxy-5-methyl-4-oxo-1H-pyrrol-3-yl)-3-isocyanobenzonitrile IUPAC Name: 4-(5-cyclopropyl-2-hydroxy-5-methyl-4-oxo-1H-pyrrol-3-yl)-3-isocyanobenzonitrile Traditional Name: 4-(5-cyclopropyl-2-hydroxy-4-keto-5-methyl-2-pyrrolin-3-yl)-3-isocyano-benzonitrile 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)[N+]#[C-])C3CC3

Isomeric SMILES

CC1(C(=O)C(=C(N1)O)C2=C(C=C(C=C2)C#N)[N+]#[C-])C3CC3

InChI

InChI=1S/C16H13N3O2/c1-16(10-4-5-10)14(20)13(15(21)19-16)11-6-3-9(8-17)7-12(11)18-2/h3,6-7,10,19,21H,4-5H2,1H3