4-[[2-(hydroxymethyl)-3-oxidanylidene-cyclopenten-1-yl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[[2-(hydroxymethyl)-3-oxidanylidene-cyclopenten-1-yl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-4-[[2-(hydroxymethyl)-3-oxo-cyclopenten-1-yl]amino]-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-4-[[2-(hydroxymethyl)-3-oxo-1-cyclopentenyl]amino]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-4-[[2-(hydroxymethyl)-3-oxocyclopenten-1-yl]amino]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[(3-keto-2-methylol-cyclopenten-1-yl)amino]-2,2-dimethyl-chroman-6-carbonitrile Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=C(C(=O)CC3)CO)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=C(C(=O)CC3)CO)O)C

InChI

InChI=1S/C18H20N2O4/c1-18(2)17(23)16(20-13-4-5-14(22)12(13)9-21)11-7-10(8-19)3-6-15(11)24-18/h3,6-7,16-17,20-21,23H,4-5,9H2,1-2H3