4-[2-[(3-nitropyridin-2-yl)amino]-1-oxidanyl-ethyl]phenol

Systemtic Name: 4-[2-[(3-nitropyridin-2-yl)amino]-1-oxidanyl-ethyl]phenol Openeye Name: 4-[1-hydroxy-2-[(3-nitro-2-pyridyl)amino]ethyl]phenol CAS Name: 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol IUPAC Name: 4-[1-hydroxy-2-[(3-nitropyridin-2-yl)amino]ethyl]phenol Traditional Name: 4-[1-hydroxy-2-[(3-nitro-2-pyridyl)amino]ethyl]phenol Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c17-10-5-3-9(4-6-10)12(18)8-15-13-11(16(19)20)2-1-7-14-13/h1-7,12,17-18H,8H2,(H,14,15)