2-ethoxycarbonyl-6-ethyl-3-(1-methyl-1H-benzimidazol-1-ium-2-yl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 2-ethoxycarbonyl-6-ethyl-3-(1-methyl-1H-benzimidazol-1-ium-2-yl)-4-oxidanylidene-chromen-7-olate Openeye Name: 2-ethoxycarbonyl-6-ethyl-3-(1-methyl-1H-benzimidazol-1-ium-2-yl)-4-oxo-chromen-7-olate CAS Name: 2-ethoxycarbonyl-6-ethyl-3-(1-methyl-1H-benzimidazol-1-ium-2-yl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 2-ethoxycarbonyl-6-ethyl-3-(1-methyl-1H-benzimidazol-1-ium-2-yl)-4-oxochromen-7-olate Traditional Name: 2-carbethoxy-6-ethyl-4-keto-3-(1-methyl-1H-benzimidazol-1-ium-2-yl)chromen-7-olate Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4[NH+]3C)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4[NH+]3C)[O-]

InChI

InChI=1S/C22H20N2O5/c1-4-12-10-13-17(11-16(12)25)29-20(22(27)28-5-2)18(19(13)26)21-23-14-8-6-7-9-15(14)24(21)3/h6-11,25H,4-5H2,1-3H3