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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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