methyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-indeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: methyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-indeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-indeno[1,2-b]pyridine-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-indeno[1,2-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methyl-indeno[1,2-b]pyridine-3-carboxylic acid methyl ester Formula: C22H14BrNO5 MolecularWeight: 452.25426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=N1)C3=CC=CC=C3C2=O)C4=CC5=C(C=C4Br)OCO5)C(=O)OC

Isomeric SMILES

CC1=C(C(=C2C(=N1)C3=CC=CC=C3C2=O)C4=CC5=C(C=C4Br)OCO5)C(=O)OC

InChI

InChI=1S/C22H14BrNO5/c1-10-17(22(26)27-2)18(13-7-15-16(8-14(13)23)29-9-28-15)19-20(24-10)11-5-3-4-6-12(11)21(19)25/h3-8H,9H2,1-2H3