2-azanyl-4-[3,4-bis(oxidanyl)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3,4-bis(oxidanyl)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(3,4-dihydroxyphenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C16H14N2O4 MolecularWeight: 298.29336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)O)O)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)O)O)C(=O)C1

InChI

InChI=1S/C16H14N2O4/c17-7-9-14(8-4-5-10(19)12(21)6-8)15-11(20)2-1-3-13(15)22-16(9)18/h4-6,14,19,21H,1-3,18H2