2-ethoxy-6-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-ethoxy-6-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-ethoxy-6-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-ethoxy-6-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-ethoxy-6-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-ethoxy-6-[[4-[4-(2-furoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate Formula: C24H24N4O6 MolecularWeight: 464.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)[O-]

InChI

InChI=1S/C24H24N4O6/c1-2-33-22-15-20(28(31)32)14-17(23(22)29)16-25-18-5-7-19(8-6-18)26-9-11-27(12-10-26)24(30)21-4-3-13-34-21/h3-8,13-16,29H,2,9-12H2,1H3