(4-methylphenyl)methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (4-methylphenyl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: p-tolylmethyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (4-methylbenzyl) ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-12-4-6-13(7-5-12)11-23-17(20)15-10-14(19(21)22)8-9-16(15)18(2)3/h4-10H,11H2,1-3H3