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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-14-4-2-3-5-16(14)22-10-8-21(9-11-22)7-6-18(24)15-12-17(23(27)28)20(26)19(25)13-15/h2-5,12-13,25-26H,6-11H2,1H3