(3-methylphenyl)carbonyl 2-[(3-methylphenyl)carbonylamino]-4-nitro-benzoate

Systemtic Name: (3-methylphenyl)carbonyl 2-[(3-methylphenyl)carbonylamino]-4-nitro-benzoate Openeye Name: (3-methylbenzoyl) 2-[(3-methylbenzoyl)amino]-4-nitro-benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-nitrobenzoic acid [(3-methylphenyl)-oxomethyl] ester IUPAC Name: (3-methylbenzoyl) 2-[(3-methylbenzoyl)amino]-4-nitrobenzoate Traditional Name: 2-(m-toluoylamino)-4-nitro-benzoic acid m-toluoyl ester Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O6/c1-14-5-3-7-16(11-14)21(26)24-20-13-18(25(29)30)9-10-19(20)23(28)31-22(27)17-8-4-6-15(2)12-17/h3-13H,1-2H3,(H,24,26)