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

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-nitrobenzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5/c19-9-12(17-20-13-6-2-3-7-14(13)21-17)16(23)10-27-18(24)11-5-1-4-8-15(11)22(25)26/h1-8,20-21H,10H2