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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C15H16ClN3O6 MolecularWeight: 369.75704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN3O6/c1-8(15(22)25-7-13(20)18-10-3-4-10)17-14(21)9-2-5-11(16)12(6-9)19(23)24/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,21)(H,18,20)/t8-/m0/s1