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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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