4,5-dimethoxy-2-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O6/c1-29-17-9-15(16(24(27)28)10-18(17)30-2)20(26)22-11-13-3-5-14(6-4-13)23-8-7-21-19(25)12-23/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,25)(H,22,26)