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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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