1-[4-[4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-hydroxy-3-methoxy-5-nitro-benzyl)piperazino]phenyl]ethanone Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-]

InChI

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