(4-aminocarbonyl-2-nitro-phenyl)methyl (3S)-3-benzamido-3-phenyl-propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (3S)-3-benzamido-3-phenyl-propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (3S)-3-benzamido-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-3-phenylpropanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (3S)-3-benzamido-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-3-phenyl-propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C24H21N3O6 MolecularWeight: 447.44004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H21N3O6/c25-23(29)18-11-12-19(21(13-18)27(31)32)15-33-22(28)14-20(16-7-3-1-4-8-16)26-24(30)17-9-5-2-6-10-17/h1-13,20H,14-15H2,(H2,25,29)(H,26,30)/t20-/m0/s1