methyl 2,2-dimethyl-3-(4-nitrophenyl)-3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 2,2-dimethyl-3-(4-nitrophenyl)-3-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-2,2-dimethyl-3-(4-nitrophenyl)propanoate CAS Name: 2,2-dimethyl-3-(4-nitrophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-3-(4-nitrophenyl)-3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)-2,2-dimethyl-3-(4-nitrophenyl)propionic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O6/c1-20(2,18(23)27-3)17(15-9-11-16(12-10-15)22(25)26)21-19(24)28-13-14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3,(H,21,24)