2-(9-bromanyl-5-methyl-4-oxidanylidene-3-phenyl-pyridazino[4,5-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(9-bromanyl-5-methyl-4-oxidanylidene-3-phenyl-pyridazino[4,5-b]indol-1-yl)ethanoic acid Openeye Name: 2-(9-bromo-5-methyl-4-oxo-3-phenyl-pyridazino[4,5-b]indol-1-yl)acetic acid CAS Name: 2-(9-bromo-5-methyl-4-oxo-3-phenyl-1-pyridazino[4,5-b]indolyl)acetic acid IUPAC Name: 2-(9-bromo-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid Traditional Name: 2-(9-bromo-4-keto-5-methyl-3-phenyl-pyridazin[4,5-b]indol-1-yl)acetic acid Formula: C19H14BrN3O3 MolecularWeight: 412.23676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)Br)C3=C1C(=O)N(N=C3CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=CC=C2)Br)C3=C1C(=O)N(N=C3CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C19H14BrN3O3/c1-22-14-9-5-8-12(20)16(14)17-13(10-15(24)25)21-23(19(26)18(17)22)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,24,25)