methyl (2S)-2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4-chloro-2-nitro-benzoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-chloro-2-nitrobenzoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-chloro-2-nitro-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5/c1-25-17(22)14(9-11-5-3-2-4-6-11)19-16(21)13-8-7-12(18)10-15(13)20(23)24/h2-8,10,14H,9H2,1H3,(H,19,21)/t14-/m0/s1