[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C

InChI

InChI=1S/C20H18N2O7/c1-11(23)21-15-5-14(6-16(8-15)22-12(2)24)20(26)27-9-17(25)13-3-4-18-19(7-13)29-10-28-18/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)