(5-bromanyl-2-oxidanyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C17H16BrN3O4 MolecularWeight: 406.23064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H16BrN3O4/c18-12-1-6-16(22)15(11-12)17(23)20-9-7-19(8-10-20)13-2-4-14(5-3-13)21(24)25/h1-6,11,22H,7-10H2