[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(cyanomethyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(cyanomethyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(cyanomethyl)benzoate CAS Name: 2-(cyanomethyl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(cyanomethyl)benzoate Traditional Name: 2-(cyanomethyl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3CC#N

InChI

InChI=1S/C18H14N2O5/c19-8-7-12-3-1-2-4-14(12)18(22)23-10-17(21)20-13-5-6-15-16(9-13)25-11-24-15/h1-6,9H,7,10-11H2,(H,20,21)