[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H13ClN4O6 MolecularWeight: 368.72922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCC(=O)OCC(=O)NCCC#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCC(=O)OCC(=O)NCCC#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClN4O6/c15-10-3-2-9(6-11(10)19(23)24)14(22)18-7-13(21)25-8-12(20)17-5-1-4-16/h2-3,6H,1,5,7-8H2,(H,17,20)(H,18,22)