6-[(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(3-benzyloxy-4-methyl-2-nitro-benzoyl)amino]hexanoic acid CAS Name: 6-[[(4-methyl-2-nitro-3-phenylmethoxyphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(4-methyl-2-nitro-3-phenylmethoxybenzoyl)amino]hexanoic acid Traditional Name: 6-[(3-benzoxy-4-methyl-2-nitro-benzoyl)amino]hexanoic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-15-11-12-17(21(26)22-13-7-3-6-10-18(24)25)19(23(27)28)20(15)29-14-16-8-4-2-5-9-16/h2,4-5,8-9,11-12H,3,6-7,10,13-14H2,1H3,(H,22,26)(H,24,25)