2-azanyl-4-(2,5-dimethylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2,5-dimethylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(2,5-dimethylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(2,5-dimethylphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(2,5-dimethylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(2,5-dimethylphenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(OC3=C2C(=O)CCC3)N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C(=C(OC3=C2C(=O)CCC3)N)C#N

InChI

InChI=1S/C18H18N2O2/c1-10-6-7-11(2)12(8-10)16-13(9-19)18(20)22-15-5-3-4-14(21)17(15)16/h6-8,16H,3-5,20H2,1-2H3