4-[[(6-nitropyridin-3-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(6-nitropyridin-3-yl)amino]methyl]benzoate Openeye Name: 4-[[(6-nitro-3-pyridyl)amino]methyl]benzoate CAS Name: 4-[[(6-nitro-3-pyridinyl)amino]methyl]benzoate IUPAC Name: 4-[[(6-nitropyridin-3-yl)amino]methyl]benzoate Traditional Name: 4-[[(6-nitro-3-pyridyl)amino]methyl]benzoate Formula: C13H10N3O4- MolecularWeight: 272.2362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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