methyl 4-[(E)-3-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C22H17N3O5/c1-29-22(28)15-9-6-14(7-10-15)8-11-20(27)30-13-19(26)16(12-23)21-24-17-4-2-3-5-18(17)25-21/h2-11,24-25H,13H2,1H3/b11-8+