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

Systemtic Name: dimethyl 2-[4-azanyl-4-(2-nitrophenyl)-3-phenyl-butan-2-yl]propanedioate Openeye Name: dimethyl 2-[3-amino-1-methyl-3-(2-nitrophenyl)-2-phenyl-propyl]propanedioate CAS Name: 2-[4-amino-4-(2-nitrophenyl)-3-phenylbutan-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-amino-4-(2-nitrophenyl)-3-phenylbutan-2-yl]propanedioate Traditional Name: 2-[3-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(C1=CC=CC=C1)C(C2=CC=CC=C2[N+](=O)[O-])N)C(C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

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