3-azanyl-1-(2-hydroxyethylamino)-6,7-bis(oxidanyl)-9,9a-dihydro-4aH-xanthene-2-carbonitrile

Systemtic Name: 3-azanyl-1-(2-hydroxyethylamino)-6,7-bis(oxidanyl)-9,9a-dihydro-4aH-xanthene-2-carbonitrile Openeye Name: 3-amino-6,7-dihydroxy-1-(2-hydroxyethylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile CAS Name: 3-amino-6,7-dihydroxy-1-(2-hydroxyethylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile IUPAC Name: 3-amino-6,7-dihydroxy-1-(2-hydroxyethylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile Traditional Name: 3-amino-6,7-dihydroxy-1-(2-hydroxyethylamino)-9,9a-dihydro-4aH-xanthene-2-carbonitrile Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C=C(C(=C2NCCO)C#N)N)OC3=CC(=C(C=C31)O)O

Isomeric SMILES

C1C2C(C=C(C(=C2NCCO)C#N)N)OC3=CC(=C(C=C31)O)O

InChI

InChI=1S/C16H17N3O4/c17-7-10-11(18)5-15-9(16(10)19-1-2-20)3-8-4-12(21)13(22)6-14(8)23-15/h4-6,9,15,19-22H,1-3,18H2