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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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