[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] pyrazine-2-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] pyrazine-2-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C16H11N5O3 MolecularWeight: 321.29024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)C3=NC=CN=C3)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)C3=NC=CN=C3)N2

InChI

InChI=1S/C16H11N5O3/c17-7-10(15-20-11-3-1-2-4-12(11)21-15)14(22)9-24-16(23)13-8-18-5-6-19-13/h1-6,8,20-21H,9H2