methyl 2-[4-[(3-methylphenyl)carbonylamino]phenoxy]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[(3-methylphenyl)carbonylamino]phenoxy]-5-nitro-benzoate Openeye Name: methyl 2-[4-[(3-methylbenzoyl)amino]phenoxy]-5-nitro-benzoate CAS Name: 2-[4-[[(3-methylphenyl)-oxomethyl]amino]phenoxy]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-methylbenzoyl)amino]phenoxy]-5-nitrobenzoate Traditional Name: 2-[4-(m-toluoylamino)phenoxy]-5-nitro-benzoic acid methyl ester Formula: C22H18N2O6 MolecularWeight: 406.38812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H18N2O6/c1-14-4-3-5-15(12-14)21(25)23-16-6-9-18(10-7-16)30-20-11-8-17(24(27)28)13-19(20)22(26)29-2/h3-13H,1-2H3,(H,23,25)