4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-3-phenyl-oxadiazol-3-ium-5-olate Formula: C12H8N4O3 MolecularWeight: 256.21692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=NOC(=C2C=C(C#N)C(=O)N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=NOC(=C2/C=C(\C#N)/C(=O)N)[O-]

InChI

InChI=1S/C12H8N4O3/c13-7-8(11(14)17)6-10-12(18)19-15-16(10)9-4-2-1-3-5-9/h1-6H,(H2-,14,15,17,18)