(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O6/c1-14-6-8-15(9-7-14)21(26)18-4-2-3-5-19(18)23(28)31-13-17-11-10-16(22(24)27)12-20(17)25(29)30/h2-12H,13H2,1H3,(H2,24,27)