2-[(4-methylphenyl)methylamino]-5-nitro-benzoate

Systemtic Name: 2-[(4-methylphenyl)methylamino]-5-nitro-benzoate Openeye Name: 5-nitro-2-(p-tolylmethylamino)benzoate CAS Name: 2-[(4-methylphenyl)methylamino]-5-nitrobenzoate IUPAC Name: 2-[(4-methylphenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(4-methylbenzyl)amino]-5-nitro-benzoate Formula: C15H13N2O4- MolecularWeight: 285.27472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H14N2O4/c1-10-2-4-11(5-3-10)9-16-14-7-6-12(17(20)21)8-13(14)15(18)19/h2-8,16H,9H2,1H3,(H,18,19)/p-1