(3R)-3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: (3R)-3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]propanoate Openeye Name: (3R)-3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitro-benzoyl)amino]propanoate CAS Name: (3R)-3-(3-chlorophenyl)-3-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]amino]propanoate IUPAC Name: (3R)-3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]propanoate Traditional Name: (3R)-3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitro-benzoyl)amino]propionate Formula: C18H16ClN2O7- MolecularWeight: 407.78184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC(CC(=O)[O-])C2=CC(=CC=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N[C@H](CC(=O)[O-])C2=CC(=CC=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17ClN2O7/c1-27-15-7-12(14(21(25)26)9-16(15)28-2)18(24)20-13(8-17(22)23)10-4-3-5-11(19)6-10/h3-7,9,13H,8H2,1-2H3,(H,20,24)(H,22,23)/p-1/t13-/m1/s1