propan-2-yl 3-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-[[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]propanoate CAS Name: 3-[[[4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]propanoate Traditional Name: 3-[[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]amino]propionic acid isopropyl ester Formula: C20H21ClN2O7 MolecularWeight: 436.84294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)OC(=O)CCNC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21ClN2O7/c1-12(2)29-19(24)8-9-22-20(25)13-4-6-17(18(10-13)28-3)30-16-7-5-14(21)11-15(16)23(26)27/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)