2-[(3,4-dimethylphenyl)amino]-5-nitro-benzoate

Systemtic Name: 2-[(3,4-dimethylphenyl)amino]-5-nitro-benzoate Openeye Name: 2-(3,4-dimethylanilino)-5-nitro-benzoate CAS Name: 2-(3,4-dimethylanilino)-5-nitrobenzoate IUPAC Name: 2-(3,4-dimethylanilino)-5-nitrobenzoate Traditional Name: 2-(3,4-dimethylanilino)-5-nitro-benzoate Formula: C15H13N2O4- MolecularWeight: 285.27472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C15H14N2O4/c1-9-3-4-11(7-10(9)2)16-14-6-5-12(17(20)21)8-13(14)15(18)19/h3-8,16H,1-2H3,(H,18,19)/p-1