[(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-nitrobenzoate

Systemtic Name: [(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-nitrobenzoate Openeye Name: [(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxo-1-pyridyl)vinyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z)-1-(4-methyl-1-piperazin-4-iumyl)-2-(2-oxo-1-pyridinyl)ethenyl] ester IUPAC Name: [(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxopyridin-1-yl)ethenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z)-2-(2-keto-1-pyridyl)-1-(4-methylpiperazin-4-ium-1-yl)vinyl] ester Formula: C19H21N4O5+ MolecularWeight: 385.39384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=CN2C=CC=CC2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)/C(=C/N2C=CC=CC2=O)/OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5/c1-20-10-12-21(13-11-20)18(14-22-9-3-2-4-17(22)24)28-19(25)15-5-7-16(8-6-15)23(26)27/h2-9,14H,10-13H2,1H3/p+1/b18-14-