2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-[4-(o-tolylmethyl)piperazin-1-yl]acetamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-[4-(2-methylbenzyl)piperazino]acetamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H26N4O4/c1-16-4-2-3-5-17(16)14-23-8-10-24(11-9-23)15-21(27)22-13-18-12-19(25(28)29)6-7-20(18)26/h2-7,12,26H,8-11,13-15H2,1H3,(H,22,27)