[2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H20ClN3O6 MolecularWeight: 397.8102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1CCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1CCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O6/c1-10(17(24)27-9-15(22)20-12-4-2-3-5-12)19-16(23)11-6-7-13(18)14(8-11)21(25)26/h6-8,10,12H,2-5,9H2,1H3,(H,19,23)(H,20,22)/t10-/m0/s1