methyl 3-(4-chlorophenyl)-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: methyl 3-(4-chlorophenyl)-3-[(4-morpholino-3-nitro-benzoyl)amino]propanoate CAS Name: 3-(4-chlorophenyl)-3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]propanoate Traditional Name: 3-(4-chlorophenyl)-3-[(4-morpholino-3-nitro-benzoyl)amino]propionic acid methyl ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O6/c1-30-20(26)13-17(14-2-5-16(22)6-3-14)23-21(27)15-4-7-18(19(12-15)25(28)29)24-8-10-31-11-9-24/h2-7,12,17H,8-11,13H2,1H3,(H,23,27)