4-ethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-3-28-19-9-8-15(14-18(19)24(26)27)20(25)21-16-6-4-5-7-17(16)23-12-10-22(2)11-13-23/h4-9,14H,3,10-13H2,1-2H3,(H,21,25)/p+1