(2-methoxy-5-methyl-phenyl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C23H22N2O5 MolecularWeight: 406.43118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O5/c1-16-8-11-22(29-2)19(12-16)15-30-23(26)18-9-10-20(21(13-18)25(27)28)24-14-17-6-4-3-5-7-17/h3-13,24H,14-15H2,1-2H3