(3-methylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (3-methylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: m-tolylmethyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (3-methylbenzyl) ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C18H20N2O5/c1-13-4-3-5-14(10-13)12-25-18(21)16-11-15(20(22)23)6-7-17(16)19-8-9-24-2/h3-7,10-11,19H,8-9,12H2,1-2H3