2-[4-(2-methylphenyl)piperazin-1-yl]-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-yl]-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-[4-(o-tolyl)piperazin-1-yl]propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-[4-(2-methylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-[4-(o-tolyl)piperazino]propan-1-one Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(C)C(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(C)C(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-13-5-3-4-6-16(13)22-9-7-21(8-10-22)14(2)19(25)15-11-17(23(27)28)20(26)18(24)12-15/h3-6,11-12,14,24,26H,7-10H2,1-2H3