ethyl 2-methyl-5-oxidanylidene-4-[(pyridin-1-ium-2-ylmethylamino)methylidene]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanylidene-4-[(pyridin-1-ium-2-ylmethylamino)methylidene]benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-oxo-4-[(pyridin-1-ium-2-ylmethylamino)methylene]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-oxo-4-[(2-pyridin-1-iumylmethylamino)methylidene]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-oxo-4-[(pyridin-1-ium-2-ylmethylamino)methylidene]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-keto-2-methyl-4-[(pyridin-1-ium-2-ylmethylamino)methylene]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C23H21N2O4+ MolecularWeight: 389.42384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=CNCC3=CC=CC=[NH+]3)C(=O)C4=CC=CC=C42)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=CNCC3=CC=CC=[NH+]3)C(=O)C4=CC=CC=C42)C

InChI

InChI=1S/C23H20N2O4/c1-3-28-23(27)19-14(2)29-22-17-10-5-4-9-16(17)21(26)18(20(19)22)13-24-12-15-8-6-7-11-25-15/h4-11,13,24H,3,12H2,1-2H3/p+1