[4-[(3-bromanyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(3-bromanyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(3-bromo-4-hydroxy-phenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(3-bromo-4-hydroxyphenyl)methyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(3-bromo-4-hydroxyphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(3-bromo-4-hydroxy-benzyl)piperazino]-(4-nitrophenyl)methanone Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)O)Br)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)O)Br)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O4/c19-16-11-13(1-6-17(16)23)12-20-7-9-21(10-8-20)18(24)14-2-4-15(5-3-14)22(25)26/h1-6,11,23H,7-10,12H2