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

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C17H20ClN3O6 MolecularWeight: 397.8102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O6/c1-11-3-2-6-20(9-11)15(22)10-27-16(23)8-19-17(24)12-4-5-13(18)14(7-12)21(25)26/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,24)