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

Systemtic Name: 3-(cyclopentylamino)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride Openeye Name: 3-(cyclopentylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride CAS Name: 3-(cyclopentylamino)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 3-(cyclopentylamino)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one hydrochloride Traditional Name: 3-(cyclopentylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride Formula: C14H19ClN2O5 MolecularWeight: 330.76406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NCCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCC(C1)NCCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

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