2-[(Z)-[3-(4-methylpiperazin-4-ium-1-yl)propanoylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(Z)-[3-(4-methylpiperazin-4-ium-1-yl)propanoylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-[3-(4-methylpiperazin-4-ium-1-yl)propanoylhydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(Z)-[[3-(4-methyl-1-piperazin-4-iumyl)-1-oxopropyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-[3-(4-methylpiperazin-4-ium-1-yl)propanoylhydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(Z)-[3-(4-methylpiperazin-4-ium-1-yl)propanoylhydrazono]methyl]-4-nitro-phenolate Formula: C15H21N5O4 MolecularWeight: 335.35834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)N/N=C\C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H21N5O4/c1-18-6-8-19(9-7-18)5-4-15(22)17-16-11-12-10-13(20(23)24)2-3-14(12)21/h2-3,10-11,21H,4-9H2,1H3,(H,17,22)/b16-11-