propan-2-yl 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H23ClN2O7 MolecularWeight: 462.88022

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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)OCCCO3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C22H23ClN2O7/c1-13(2)32-20(26)12-17(15-6-3-4-7-18(15)25(28)29)24-22(27)14-10-16(23)21-19(11-14)30-8-5-9-31-21/h3-4,6-7,10-11,13,17H,5,8-9,12H2,1-2H3,(H,24,27)