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

Systemtic Name: 3-azanyl-4-(hydroxymethyl)-2-(2-oxidanylidenebutyl)cyclopent-3-ene-1,1,2-tricarbonitrile Openeye Name: 3-amino-4-(hydroxymethyl)-2-(2-oxobutyl)cyclopent-3-ene-1,1,2-tricarbonitrile CAS Name: 3-amino-4-(hydroxymethyl)-2-(2-oxobutyl)cyclopent-3-ene-1,1,2-tricarbonitrile IUPAC Name: 3-amino-4-(hydroxymethyl)-2-(2-oxobutyl)cyclopent-3-ene-1,1,2-tricarbonitrile Traditional Name: 3-amino-2-(2-ketobutyl)-4-methylol-cyclopent-3-ene-1,1,2-tricarbonitrile Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2/c1-2-10(19)4-13(8-16)11(17)9(5-18)3-12(13,6-14)7-15/h18H,2-5,17H2,1H3