3-[4-(hydroxymethyl)-2-nitro-phenoxy]azepan-2-one

Systemtic Name: 3-[4-(hydroxymethyl)-2-nitro-phenoxy]azepan-2-one Openeye Name: 3-[4-(hydroxymethyl)-2-nitro-phenoxy]azepan-2-one CAS Name: 3-[4-(hydroxymethyl)-2-nitrophenoxy]-2-azepanone IUPAC Name: 3-[4-(hydroxymethyl)-2-nitrophenoxy]azepan-2-one Traditional Name: 3-(4-methylol-2-nitro-phenoxy)azepan-2-one Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)CO)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)CO)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c16-8-9-4-5-11(10(7-9)15(18)19)20-12-3-1-2-6-14-13(12)17/h4-5,7,12,16H,1-3,6,8H2,(H,14,17)