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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: [2-oxo-2-(propylamino)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-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid [2-keto-2-(propylamino)ethyl] ester Formula: C15H18ClN3O6 MolecularWeight: 371.77292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O6/c1-3-6-17-13(20)8-25-15(22)9(2)18-14(21)10-4-5-11(16)12(7-10)19(23)24/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,20)(H,18,21)/t9-/m0/s1