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

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

Isomeric SMILES

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

InChI

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