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

Systemtic Name: 2-(5-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-3-yl)ethanoic acid Openeye Name: 2-(5-methyl-4-oxo-pyridazino[4,5-b]indol-3-yl)acetic acid CAS Name: 2-(5-methyl-4-oxo-3-pyridazino[4,5-b]indolyl)acetic acid IUPAC Name: 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)acetic acid Traditional Name: 2-(4-keto-5-methyl-pyridazin[4,5-b]indol-3-yl)acetic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)O

InChI

InChI=1S/C13H11N3O3/c1-15-10-5-3-2-4-8(10)9-6-14-16(7-11(17)18)13(19)12(9)15/h2-6H,7H2,1H3,(H,17,18)