2-[2-(4,5-dimethoxy-2-nitro-phenyl)propoxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)propoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)propoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(4,5-dimethoxy-2-nitrophenyl)propoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-(4,5-dimethoxy-2-nitrophenyl)propoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)propoxycarbonylamino]-3-phenyl-propionic acid Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)NC(CC1=CC=CC=C1)C(=O)O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(COC(=O)NC(CC1=CC=CC=C1)C(=O)O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H24N2O8/c1-13(15-10-18(29-2)19(30-3)11-17(15)23(27)28)12-31-21(26)22-16(20(24)25)9-14-7-5-4-6-8-14/h4-8,10-11,13,16H,9,12H2,1-3H3,(H,22,26)(H,24,25)