4-chloranyl-2-nitro-6-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenolate CAS Name: 4-chloro-2-nitro-6-[[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenolate Traditional Name: 4-chloro-2-nitro-6-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenolate Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN5O4/c21-16-12-15(20(28)18(13-16)26(29)30)14-22-23-19(27)6-7-24-8-10-25(11-9-24)17-4-2-1-3-5-17/h1-5,12-14,28H,6-11H2,(H,23,27)