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

Systemtic Name: 4-nitro-2-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-nitro-2-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenolate CAS Name: 4-nitro-2-[(Z)-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-nitro-2-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenolate Traditional Name: 4-nitro-2-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenolate Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N/N=C\C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O4/c26-19-7-6-18(25(28)29)14-16(19)15-21-22-20(27)8-9-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-7,14-15,26H,8-13H2,(H,22,27)/b21-15-