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

Systemtic Name: 2-(3-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-5-yl)propanoic acid Openeye Name: 2-(3-methyl-4-oxo-pyridazino[4,5-b]indol-5-yl)propanoic acid CAS Name: 2-(3-methyl-4-oxo-5-pyridazino[4,5-b]indolyl)propanoic acid IUPAC Name: 2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanoic acid Traditional Name: 2-(4-keto-3-methyl-pyridazin[4,5-b]indol-5-yl)propionic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=CC=CC=C2C3=C1C(=O)N(N=C3)C

Isomeric SMILES

CC(C(=O)O)N1C2=CC=CC=C2C3=C1C(=O)N(N=C3)C

InChI

InChI=1S/C14H13N3O3/c1-8(14(19)20)17-11-6-4-3-5-9(11)10-7-15-16(2)13(18)12(10)17/h3-8H,1-2H3,(H,19,20)