[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-3-14-8-9-15(4-2)18(10-14)19(24)13-29-20(25)12-22-21(26)16-6-5-7-17(11-16)23(27)28/h5-11H,3-4,12-13H2,1-2H3,(H,22,26)