3-azanyl-4-(hydroxymethyl)-2-(2-oxidanylidenehexyl)cyclopent-3-ene-1,1,2-tricarbonitrile

Systemtic Name: 3-azanyl-4-(hydroxymethyl)-2-(2-oxidanylidenehexyl)cyclopent-3-ene-1,1,2-tricarbonitrile Openeye Name: 3-amino-4-(hydroxymethyl)-2-(2-oxohexyl)cyclopent-3-ene-1,1,2-tricarbonitrile CAS Name: 3-amino-4-(hydroxymethyl)-2-(2-oxohexyl)cyclopent-3-ene-1,1,2-tricarbonitrile IUPAC Name: 3-amino-4-(hydroxymethyl)-2-(2-oxohexyl)cyclopent-3-ene-1,1,2-tricarbonitrile Traditional Name: 3-amino-2-(2-ketohexyl)-4-methylol-cyclopent-3-ene-1,1,2-tricarbonitrile Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC1(C(=C(CC1(C#N)C#N)CO)N)C#N

Isomeric SMILES

CCCCC(=O)CC1(C(=C(CC1(C#N)C#N)CO)N)C#N

InChI

InChI=1S/C15H18N4O2/c1-2-3-4-12(21)6-15(10-18)13(19)11(7-20)5-14(15,8-16)9-17/h20H,2-7,19H2,1H3