propan-2-yl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(2-nitrophenyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H22N2O7/c1-13(2)30-20(24)12-16(15-5-3-4-6-17(15)23(26)27)22-21(25)14-7-8-18-19(11-14)29-10-9-28-18/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,22,25)