4-[(2,6-dimethylphenyl)amino]-3-nitro-benzoate

Systemtic Name: 4-[(2,6-dimethylphenyl)amino]-3-nitro-benzoate Openeye Name: 4-(2,6-dimethylanilino)-3-nitro-benzoate CAS Name: 4-(2,6-dimethylanilino)-3-nitrobenzoate IUPAC Name: 4-(2,6-dimethylanilino)-3-nitrobenzoate Traditional Name: 4-(2,6-dimethylanilino)-3-nitro-benzoate Formula: C15H13N2O4- MolecularWeight: 285.27472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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