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

Systemtic Name: 2-[1,3-bis(azanyl)-7-bromanyl-2-cyano-9,9a-dihydro-4aH-xanthen-9-yl]propanedinitrile Openeye Name: 2-(1,3-diamino-7-bromo-2-cyano-9,9a-dihydro-4aH-xanthen-9-yl)propanedinitrile CAS Name: 2-(1,3-diamino-7-bromo-2-cyano-9,9a-dihydro-4aH-xanthen-9-yl)propanedinitrile IUPAC Name: 2-(1,3-diamino-7-bromo-2-cyano-9,9a-dihydro-4aH-xanthen-9-yl)propanedinitrile Traditional Name: 2-(1,3-diamino-7-bromo-2-cyano-9,9a-dihydro-4aH-xanthen-9-yl)malononitrile Formula: C17H12BrN5O MolecularWeight: 382.21408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(C3C(O2)C=C(C(=C3N)C#N)N)C(C#N)C#N

Isomeric SMILES

C1=CC2=C(C=C1Br)C(C3C(O2)C=C(C(=C3N)C#N)N)C(C#N)C#N

InChI

InChI=1S/C17H12BrN5O/c18-9-1-2-13-10(3-9)15(8(5-19)6-20)16-14(24-13)4-12(22)11(7-21)17(16)23/h1-4,8,14-16H,22-23H2