4-[(2,6-dinitropyridin-3-yl)amino]benzoic acid

Systemtic Name: 4-[(2,6-dinitropyridin-3-yl)amino]benzoic acid Openeye Name: 4-[(2,6-dinitro-3-pyridyl)amino]benzoic acid CAS Name: 4-[(2,6-dinitro-3-pyridinyl)amino]benzoic acid IUPAC Name: 4-[(2,6-dinitropyridin-3-yl)amino]benzoic acid Traditional Name: 4-[(2,6-dinitro-3-pyridyl)amino]benzoic acid Formula: C12H8N4O6 MolecularWeight: 304.21512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(N=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(N=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O6/c17-12(18)7-1-3-8(4-2-7)13-9-5-6-10(15(19)20)14-11(9)16(21)22/h1-6,13H,(H,17,18)