2-(azepan-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone hydrochloride

Systemtic Name: 2-(azepan-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone hydrochloride Openeye Name: 2-(azepan-1-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone hydrochloride CAS Name: 2-(1-azepanyl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone hydrochloride IUPAC Name: 2-(azepan-1-yl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone hydrochloride Traditional Name: 2-(azepan-1-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone hydrochloride Formula: C14H19ClN2O5 MolecularWeight: 330.76406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H18N2O5.ClH/c17-12-8-10(7-11(14(12)19)16(20)21)13(18)9-15-5-3-1-2-4-6-15;/h7-8,17,19H,1-6,9H2;1H