3-[(3,5-dinitropyridin-4-yl)amino]benzoate

Systemtic Name: 3-[(3,5-dinitropyridin-4-yl)amino]benzoate Openeye Name: 3-[(3,5-dinitro-4-pyridyl)amino]benzoate CAS Name: 3-[(3,5-dinitro-4-pyridinyl)amino]benzoate IUPAC Name: 3-[(3,5-dinitropyridin-4-yl)amino]benzoate Traditional Name: 3-[(3,5-dinitro-4-pyridyl)amino]benzoate Formula: C12H7N4O6- MolecularWeight: 303.20718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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