[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[(3-chloro-5-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C14H16ClN3O6 MolecularWeight: 357.74634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O6/c1-8(2)17-12(19)7-24-13(20)6-16-14(21)9-3-10(15)5-11(4-9)18(22)23/h3-5,8H,6-7H2,1-2H3,(H,16,21)(H,17,19)