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

Systemtic Name: 4-ethoxy-5-methoxy-2-nitro-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]benzamide Openeye Name: 4-ethoxy-5-methoxy-2-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide CAS Name: 4-ethoxy-5-methoxy-2-nitro-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]benzamide IUPAC Name: 4-ethoxy-5-methoxy-2-nitro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide Traditional Name: 4-ethoxy-N-[4-(3-ketopiperazino)benzyl]-5-methoxy-2-nitro-benzamide Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)OC

InChI

InChI=1S/C21H24N4O6/c1-3-31-19-11-17(25(28)29)16(10-18(19)30-2)21(27)23-12-14-4-6-15(7-5-14)24-9-8-22-20(26)13-24/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,26)(H,23,27)