propan-2-yl 3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H21ClN2O7 MolecularWeight: 448.85364

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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)Cl)OCCO3

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O7/c1-12(2)31-19(25)11-16(14-5-3-4-6-17(14)24(27)28)23-21(26)13-9-15(22)20-18(10-13)29-7-8-30-20/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,23,26)