2-methyl-3-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-methyl-3-nitro-benzamide Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C19H20N4O4/c1-13-16(3-2-4-17(13)23(26)27)19(25)21-11-14-5-7-15(8-6-14)22-10-9-20-18(24)12-22/h2-8H,9-12H2,1H3,(H,20,24)(H,21,25)