[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H14N2O5/c1-11(25-18(22)13-4-2-3-12(7-13)9-19)17(21)20-14-5-6-15-16(8-14)24-10-23-15/h2-8,11H,10H2,1H3,(H,20,21)/t11-/m1/s1