(4-methylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-methylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: p-tolylmethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-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=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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