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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(allylamino)-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-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C14H14ClN3O6 MolecularWeight: 355.73046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O6/c1-2-3-16-12(19)8-24-13(20)7-17-14(21)9-4-10(15)6-11(5-9)18(22)23/h2,4-6H,1,3,7-8H2,(H,16,19)(H,17,21)