phenyl (2S,3S)-2-methyl-3-(4-nitrophenyl)-3-phenylazanyl-propanoate

Systemtic Name: phenyl (2S,3S)-2-methyl-3-(4-nitrophenyl)-3-phenylazanyl-propanoate Openeye Name: phenyl (2S,3S)-3-anilino-2-methyl-3-(4-nitrophenyl)propanoate CAS Name: (2S,3S)-3-anilino-2-methyl-3-(4-nitrophenyl)propanoic acid phenyl ester IUPAC Name: phenyl (2S,3S)-3-anilino-2-methyl-3-(4-nitrophenyl)propanoate Traditional Name: (2S,3S)-3-anilino-2-methyl-3-(4-nitrophenyl)propionic acid phenyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=CC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=CC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4/c1-16(22(25)28-20-10-6-3-7-11-20)21(23-18-8-4-2-5-9-18)17-12-14-19(15-13-17)24(26)27/h2-16,21,23H,1H3/t16-,21-/m0/s1