4-[[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C16H12N6O4 MolecularWeight: 352.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O4/c23-16(24)10-1-3-11(4-2-10)20-14-13(22(25)26)15(19-9-18-14)21-12-5-7-17-8-6-12/h1-9H,(H,23,24)(H2,17,18,19,20,21)