[1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C15H18ClN3O6 MolecularWeight: 371.77292

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

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