4-[2-[(5-nitropyrimidin-2-yl)amino]-1-oxidanyl-ethyl]phenol

Systemtic Name: 4-[2-[(5-nitropyrimidin-2-yl)amino]-1-oxidanyl-ethyl]phenol Openeye Name: 4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol CAS Name: 4-[1-hydroxy-2-[(5-nitro-2-pyrimidinyl)amino]ethyl]phenol IUPAC Name: 4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol Traditional Name: 4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC2=NC=C(C=N2)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=CC=C1C(CNC2=NC=C(C=N2)[N+](=O)[O-])O)O

InChI

InChI=1S/C12H12N4O4/c17-10-3-1-8(2-4-10)11(18)7-15-12-13-5-9(6-14-12)16(19)20/h1-6,11,17-18H,7H2,(H,13,14,15)