1-(4-azanyl-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-8-yl)propylidenecyanamide

Systemtic Name: 1-(4-azanyl-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-8-yl)propylidenecyanamide Openeye Name: 1-(4-amino-6-cyano-3-hydroxy-2,2-dimethyl-chroman-8-yl)propylidenecyanamide CAS Name: 1-(4-amino-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl)propylidenecyanamide IUPAC Name: 1-(4-amino-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)propylidenecyanamide Traditional Name: 1-(4-amino-6-cyano-3-hydroxy-2,2-dimethyl-chroman-8-yl)propylidenecyanamide Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NC#N)C1=C2C(=CC(=C1)C#N)C(C(C(O2)(C)C)O)N

Isomeric SMILES

CCC(=NC#N)C1=C2C(=CC(=C1)C#N)C(C(C(O2)(C)C)O)N

InChI

InChI=1S/C16H18N4O2/c1-4-12(20-8-18)10-5-9(7-17)6-11-13(19)15(21)16(2,3)22-14(10)11/h5-6,13,15,21H,4,19H2,1-3H3