4-nitro-2-[(Z)-[[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]carbonylhydrazinylidene]methyl]phenolate

Systemtic Name: 4-nitro-2-[(Z)-[[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]carbonylhydrazinylidene]methyl]phenolate Openeye Name: 4-nitro-2-[(Z)-[[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbonyl]hydrazono]methyl]phenolate CAS Name: 4-nitro-2-[(Z)-[[[1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-nitro-2-[(Z)-[[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbonyl]hydrazinylidene]methyl]phenolate Traditional Name: 4-nitro-2-[(Z)-[[1-(4-nitrobenzyl)piperidin-1-ium-4-carbonyl]hydrazono]methyl]phenolate Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N/N=C\C2=C(C=CC(=C2)[N+](=O)[O-])[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6/c26-19-6-5-18(25(30)31)11-16(19)12-21-22-20(27)15-7-9-23(10-8-15)13-14-1-3-17(4-2-14)24(28)29/h1-6,11-12,15,26H,7-10,13H2,(H,22,27)/b21-12-