[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(ethoxycarbonylamino)benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(ethoxycarbonylamino)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-(ethoxycarbonylamino)benzoate CAS Name: 4-(ethoxycarbonylamino)benzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(ethoxycarbonylamino)benzoate Traditional Name: 4-(carbethoxyamino)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-3-26-20(25)22-14-6-4-13(5-7-14)19(24)29-12(2)18(23)21-15-8-9-16-17(10-15)28-11-27-16/h4-10,12H,3,11H2,1-2H3,(H,21,23)(H,22,25)