N-(2-cyano-4-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H20N5O4+ MolecularWeight: 382.3932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H19N5O4/c20-12-14-11-16(24(27)28)3-6-18(14)21-19(26)13-22-7-9-23(10-8-22)15-1-4-17(25)5-2-15/h1-6,11,25H,7-10,13H2,(H,21,26)/p+1