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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-[(3-chloro-5-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C15H18ClN3O6 MolecularWeight: 371.77292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O6/c1-9(2)6-17-13(20)8-25-14(21)7-18-15(22)10-3-11(16)5-12(4-10)19(23)24/h3-5,9H,6-8H2,1-2H3,(H,17,20)(H,18,22)