3-[3,6-bis(azanyl)-2-(2-cyanoethanoyl)phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[3,6-bis(azanyl)-2-(2-cyanoethanoyl)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[3,6-diamino-2-(2-cyanoacetyl)phenyl]-3-oxo-propanenitrile CAS Name: 3-[3,6-diamino-2-(2-cyano-1-oxoethyl)phenyl]-3-oxopropanenitrile IUPAC Name: 3-[3,6-diamino-2-(2-cyanoacetyl)phenyl]-3-oxopropanenitrile Traditional Name: 3-[3,6-diamino-2-(2-cyanoacetyl)phenyl]-3-keto-propionitrile Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N)C(=O)CC#N)C(=O)CC#N)N

Isomeric SMILES

C1=CC(=C(C(=C1N)C(=O)CC#N)C(=O)CC#N)N

InChI

InChI=1S/C12H10N4O2/c13-5-3-9(17)11-7(15)1-2-8(16)12(11)10(18)4-6-14/h1-2H,3-4,15-16H2