4-[[(2-nitrophenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2-nitrophenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-nitrophenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(2-nitrophenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2-nitrophenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-nitrobenzyl)ammonio]methyl]benzoate Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O4/c18-15(19)12-7-5-11(6-8-12)9-16-10-13-3-1-2-4-14(13)17(20)21/h1-8,16H,9-10H2,(H,18,19)