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

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-yl]-3-[(4-chloranyl-3-methoxy-phenyl)methyl]-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(4-chloro-3-methoxy-phenyl)methyl]-1-[2-hydroxy-1-(hydroxymethyl)ethyl]-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(4-chloro-3-methoxyphenyl)methyl]-1-(1,3-dihydroxypropan-2-yl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(4-chloro-3-methoxyphenyl)methyl]-1-(1,3-dihydroxypropan-2-yl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(4-chloro-3-methoxy-benzyl)-1-(2-hydroxy-1-methylol-ethyl)-2-keto-benzimidazole-5-carbonitrile Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4/c1-27-18-7-13(2-4-15(18)20)9-22-17-6-12(8-21)3-5-16(17)23(19(22)26)14(10-24)11-25/h2-7,14,24-25H,9-11H2,1H3