methyl (2S)-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl (2S)-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl (2S)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-nitrophenyl)propanoate CAS Name: (2S)-2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-nitrophenyl)propanoate Traditional Name: (2S)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C20H22N2O5/c1-13-9-14(2)11-16(10-13)19(23)21(3)18(20(24)27-4)12-15-5-7-17(8-6-15)22(25)26/h5-11,18H,12H2,1-4H3/t18-/m0/s1