[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C18H15N3O5/c1-10(17(22)21-12-3-5-15-16(7-12)25-9-24-15)26-18(23)11-2-4-13-14(6-11)20-8-19-13/h2-8,10H,9H2,1H3,(H,19,20)(H,21,22)