(3-nitrophenyl)methyl 4-[[(2-methylphenyl)amino]methyl]benzoate

Systemtic Name: (3-nitrophenyl)methyl 4-[[(2-methylphenyl)amino]methyl]benzoate Openeye Name: (3-nitrophenyl)methyl 4-[(2-methylanilino)methyl]benzoate CAS Name: 4-[(2-methylanilino)methyl]benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-[(2-methylanilino)methyl]benzoate Traditional Name: 4-(o-toluidinomethyl)benzoic acid (3-nitrobenzyl) ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NCC2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O4/c1-16-5-2-3-8-21(16)23-14-17-9-11-19(12-10-17)22(25)28-15-18-6-4-7-20(13-18)24(26)27/h2-13,23H,14-15H2,1H3