N-[3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]-4-nitro-benzamide Openeye Name: N-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-hydroxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-hydroxy-3-[(4-methylpiperazino)methyl]phenyl]-4-nitro-benzamide Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)13-15-12-16(4-7-18(15)24)20-19(25)14-2-5-17(6-3-14)23(26)27/h2-7,12,24H,8-11,13H2,1H3,(H,20,25)