4-[[(5-nitropyridin-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(5-nitropyridin-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(5-nitro-2-pyridyl)amino]methyl]benzoic acid CAS Name: 4-[[(5-nitro-2-pyridinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(5-nitropyridin-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-nitro-2-pyridyl)amino]methyl]benzoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H11N3O4/c17-13(18)10-3-1-9(2-4-10)7-14-12-6-5-11(8-15-12)16(19)20/h1-6,8H,7H2,(H,14,15)(H,17,18)