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

Systemtic Name: 2-azanyl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone hydrochloride Openeye Name: 2-amino-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone hydrochloride CAS Name: 2-amino-1-(3,4-dihydroxy-5-nitrophenyl)ethanone hydrochloride IUPAC Name: 2-amino-1-(3,4-dihydroxy-5-nitrophenyl)ethanone hydrochloride Traditional Name: 2-amino-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone hydrochloride Formula: C8H9ClN2O5 MolecularWeight: 248.62046

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C(=O)CN.Cl

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C(=O)CN.Cl

InChI

InChI=1S/C8H8N2O5.ClH/c9-3-7(12)4-1-5(10(14)15)8(13)6(11)2-4;/h1-2,11,13H,3,9H2;1H