4-[(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(3-pyridinyloxy)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzoic acid Formula: C16H11N5O5 MolecularWeight: 353.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11N5O5/c22-16(23)10-3-5-11(6-4-10)20-14-13(21(24)25)15(19-9-18-14)26-12-2-1-7-17-8-12/h1-9H,(H,22,23)(H,18,19,20)