[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C21H17N3O6/c1-27-17-8-12(9-18-19(17)29-7-6-28-18)21(26)30-11-16(25)13(10-22)20-23-14-4-2-3-5-15(14)24-20/h2-5,8-9,23-24H,6-7,11H2,1H3