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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H22ClN3O6 MolecularWeight: 399.82608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O6/c1-4-12(5-2)20-15(22)9-27-17(24)10(3)19-16(23)11-6-7-13(18)14(8-11)21(25)26/h6-8,10,12H,4-5,9H2,1-3H3,(H,19,23)(H,20,22)/t10-/m0/s1