[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

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