(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-2-(4-nitrobenzylidene)coumaran-6-olate Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)[N+](=O)[O-])C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/C3=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-2-23-9-11-24(12-10-23)14-18-19(26)8-7-17-21(27)20(30-22(17)18)13-15-3-5-16(6-4-15)25(28)29/h3-8,13,26H,2,9-12,14H2,1H3/b20-13-