1-[1,3-bis(oxidanyl)propan-2-yl]-3-[(3,4-dimethoxyphenyl)methyl]-2-oxidanylidene-benzimidazole-5-carbonitrile

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-yl]-3-[(3,4-dimethoxyphenyl)methyl]-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-[2-hydroxy-1-(hydroxymethyl)ethyl]-2-oxo-benzimidazole-5-carbonitrile CAS Name: 1-(1,3-dihydroxypropan-2-yl)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 1-(1,3-dihydroxypropan-2-yl)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxobenzimidazole-5-carbonitrile Traditional Name: 1-(2-hydroxy-1-methylol-ethyl)-2-keto-3-veratryl-benzimidazole-5-carbonitrile Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C(CO)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C(CO)CO)OC

InChI

InChI=1S/C20H21N3O5/c1-27-18-6-4-14(8-19(18)28-2)10-22-17-7-13(9-21)3-5-16(17)23(20(22)26)15(11-24)12-25/h3-8,15,24-25H,10-12H2,1-2H3