[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-2-keto-ethyl] ester Formula: C19H14N2O6 MolecularWeight: 366.32426

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H14N2O6/c20-9-12-5-7-13(8-6-12)19(24)26-11-17(22)21-18(23)16-10-25-14-3-1-2-4-15(14)27-16/h1-8,16H,10-11H2,(H,21,22,23)/t16-/m0/s1