3-(cyclohexylamino)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride

Systemtic Name: 3-(cyclohexylamino)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride Openeye Name: 3-(cyclohexylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride CAS Name: 3-(cyclohexylamino)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 3-(cyclohexylamino)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one hydrochloride Traditional Name: 3-(cyclohexylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride Formula: C15H21ClN2O5 MolecularWeight: 344.79064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCC(CC1)NCCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H20N2O5.ClH/c18-13(6-7-16-11-4-2-1-3-5-11)10-8-12(17(21)22)15(20)14(19)9-10;/h8-9,11,16,19-20H,1-7H2;1H