4-[[(3-nitropyridin-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(3-nitropyridin-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(3-nitro-2-pyridyl)amino]methyl]benzoic acid CAS Name: 4-[[(3-nitro-2-pyridinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(3-nitropyridin-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-nitro-2-pyridyl)amino]methyl]benzoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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