(phenylmethyl) 6-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]hexanoate

Systemtic Name: (phenylmethyl) 6-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]hexanoate Openeye Name: benzyl 6-[(3,5-dimethyl-4-nitro-benzoyl)amino]hexanoate CAS Name: 6-[[(3,5-dimethyl-4-nitrophenyl)-oxomethyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(3,5-dimethyl-4-nitrobenzoyl)amino]hexanoate Traditional Name: 6-[(3,5-dimethyl-4-nitro-benzoyl)amino]hexanoic acid benzyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)NCCCCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)NCCCCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-16-13-19(14-17(2)21(16)24(27)28)22(26)23-12-8-4-7-11-20(25)29-15-18-9-5-3-6-10-18/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,23,26)