methyl 11-[(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]undecanoate

Systemtic Name: methyl 11-[(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]undecanoate Openeye Name: methyl 11-[(3-benzyloxy-4-methyl-2-nitro-benzoyl)amino]undecanoate CAS Name: 11-[[(4-methyl-2-nitro-3-phenylmethoxyphenyl)-oxomethyl]amino]undecanoic acid methyl ester IUPAC Name: methyl 11-[(4-methyl-2-nitro-3-phenylmethoxybenzoyl)amino]undecanoate Traditional Name: 11-[(3-benzoxy-4-methyl-2-nitro-benzoyl)amino]undecanoic acid methyl ester Formula: C27H36N2O6 MolecularWeight: 484.58454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O6/c1-21-17-18-23(25(29(32)33)26(21)35-20-22-14-10-9-11-15-22)27(31)28-19-13-8-6-4-3-5-7-12-16-24(30)34-2/h9-11,14-15,17-18H,3-8,12-13,16,19-20H2,1-2H3,(H,28,31)