naphthalen-1-ylmethyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: naphthalen-1-ylmethyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: 1-naphthylmethyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid 1-naphthylmethyl ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O5/c1-13(23-20(25)15-9-10-18(22)19(11-15)24(27)28)21(26)29-12-16-7-4-6-14-5-2-3-8-17(14)16/h2-11,13H,12H2,1H3,(H,23,25)/t13-/m0/s1