dimethyl 2-[2-azanyl-4-(2-nitrophenyl)-3-phenyl-butan-2-yl]propanedioate

Systemtic Name: dimethyl 2-[2-azanyl-4-(2-nitrophenyl)-3-phenyl-butan-2-yl]propanedioate Openeye Name: dimethyl 2-[1-amino-1-methyl-3-(2-nitrophenyl)-2-phenyl-propyl]propanedioate CAS Name: 2-[2-amino-4-(2-nitrophenyl)-3-phenylbutan-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-amino-4-(2-nitrophenyl)-3-phenylbutan-2-yl]propanedioate Traditional Name: 2-[1-amino-1-methyl-3-(2-nitrophenyl)-2-phenyl-propyl]malonic acid dimethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-21(22,18(19(24)28-2)20(25)29-3)16(14-9-5-4-6-10-14)13-15-11-7-8-12-17(15)23(26)27/h4-12,16,18H,13,22H2,1-3H3