[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)O

InChI

InChI=1S/C21H17N3O5/c1-28-19-10-13(6-8-17(19)25)7-9-20(27)29-12-18(26)14(11-22)21-23-15-4-2-3-5-16(15)24-21/h2-10,23-25H,12H2,1H3