2-[1,3-bis(azanyl)-2-cyano-6-methoxy-9,9a-dihydro-4aH-xanthen-9-yl]propanedinitrile

Systemtic Name: 2-[1,3-bis(azanyl)-2-cyano-6-methoxy-9,9a-dihydro-4aH-xanthen-9-yl]propanedinitrile Openeye Name: 2-(1,3-diamino-2-cyano-6-methoxy-9,9a-dihydro-4aH-xanthen-9-yl)propanedinitrile CAS Name: 2-(1,3-diamino-2-cyano-6-methoxy-9,9a-dihydro-4aH-xanthen-9-yl)propanedinitrile IUPAC Name: 2-(1,3-diamino-2-cyano-6-methoxy-9,9a-dihydro-4aH-xanthen-9-yl)propanedinitrile Traditional Name: 2-(1,3-diamino-2-cyano-6-methoxy-9,9a-dihydro-4aH-xanthen-9-yl)malononitrile Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C3C(O2)C=C(C(=C3N)C#N)N)C(C#N)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C(C3C(O2)C=C(C(=C3N)C#N)N)C(C#N)C#N

InChI

InChI=1S/C18H15N5O2/c1-24-10-2-3-11-14(4-10)25-15-5-13(22)12(8-21)18(23)17(15)16(11)9(6-19)7-20/h2-5,9,15-17H,22-23H2,1H3