[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22N2O7/c1-21(2,3)30-20(26)23-14-6-4-5-13(9-14)19(25)27-11-18(24)22-15-7-8-16-17(10-15)29-12-28-16/h4-10H,11-12H2,1-3H3,(H,22,24)(H,23,26)