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

Systemtic Name: 4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-(4-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-3-(p-tolyl)oxadiazol-3-ium-5-olate CAS Name: 4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(4-methylphenyl)-5-oxadiazol-3-iumolate IUPAC Name: 4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(4-methylphenyl)oxadiazol-3-ium-5-olate Traditional Name: 4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-3-(p-tolyl)oxadiazol-3-ium-5-olate Formula: C13H10N4O3 MolecularWeight: 270.2435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=NOC(=C2C=C(C#N)C(=O)N)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=NOC(=C2/C=C(\C#N)/C(=O)N)[O-]

InChI

InChI=1S/C13H10N4O3/c1-8-2-4-10(5-3-8)17-11(13(19)20-16-17)6-9(7-14)12(15)18/h2-6H,1H3,(H2-,15,16,18,19)