2-[1,3-bis(azanyl)-2-cyano-7-oxidanyl-9,9a-dihydro-4aH-xanthen-9-yl]propanedinitrile

Systemtic Name: 2-[1,3-bis(azanyl)-2-cyano-7-oxidanyl-9,9a-dihydro-4aH-xanthen-9-yl]propanedinitrile Openeye Name: 2-(1,3-diamino-2-cyano-7-hydroxy-9,9a-dihydro-4aH-xanthen-9-yl)propanedinitrile CAS Name: 2-(1,3-diamino-2-cyano-7-hydroxy-9,9a-dihydro-4aH-xanthen-9-yl)propanedinitrile IUPAC Name: 2-(1,3-diamino-2-cyano-7-hydroxy-9,9a-dihydro-4aH-xanthen-9-yl)propanedinitrile Traditional Name: 2-(1,3-diamino-2-cyano-7-hydroxy-9,9a-dihydro-4aH-xanthen-9-yl)malononitrile Formula: C17H13N5O2 MolecularWeight: 319.31742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C(C3C(O2)C=C(C(=C3N)C#N)N)C(C#N)C#N

Isomeric SMILES

C1=CC2=C(C=C1O)C(C3C(O2)C=C(C(=C3N)C#N)N)C(C#N)C#N

InChI

InChI=1S/C17H13N5O2/c18-5-8(6-19)15-10-3-9(23)1-2-13(10)24-14-4-12(21)11(7-20)17(22)16(14)15/h1-4,8,14-16,23H,21-22H2