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

Systemtic Name: 2-ethoxy-6-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-ethoxy-6-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-ethoxy-6-[[4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-ethoxy-6-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-ethoxy-6-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)N3CC[NH+](CC3)CCO)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)N3CC[NH+](CC3)CCO)[O-]

InChI

InChI=1S/C21H26N4O5/c1-2-30-20-14-19(25(28)29)13-16(21(20)27)15-22-17-3-5-18(6-4-17)24-9-7-23(8-10-24)11-12-26/h3-6,13-15,26-27H,2,7-12H2,1H3