(3,4-dimethylphenyl) 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (3,4-dimethylphenyl) 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (3,4-dimethylphenyl) 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (3,4-dimethylphenyl) ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-11-5-7-14(9-12(11)2)23-17(20)15-10-13(19(21)22)6-8-16(15)18(3)4/h5-10H,1-4H3