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

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-phenyl-1-piperazinyl)-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-phenylpiperazino)propan-1-one hydrochloride Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC=C3.Cl

InChI

InChI=1S/C19H21N3O5.ClH/c23-17(14-12-16(22(26)27)19(25)18(24)13-14)6-7-20-8-10-21(11-9-20)15-4-2-1-3-5-15;/h1-5,12-13,24-25H,6-11H2;1H