2-(5,8-dimethyl-4-oxidanylidene-3-phenyl-pyridazino[4,5-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(5,8-dimethyl-4-oxidanylidene-3-phenyl-pyridazino[4,5-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5,8-dimethyl-4-oxo-3-phenyl-pyridazino[4,5-b]indol-1-yl)acetic acid CAS Name: 2-(5,8-dimethyl-4-oxo-3-phenyl-1-pyridazino[4,5-b]indolyl)acetic acid IUPAC Name: 2-(5,8-dimethyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid Traditional Name: 2-(4-keto-5,8-dimethyl-3-phenyl-pyridazin[4,5-b]indol-1-yl)acetic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2C(=NN(C3=O)C4=CC=CC=C4)CC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2C(=NN(C3=O)C4=CC=CC=C4)CC(=O)O)C

InChI

InChI=1S/C20H17N3O3/c1-12-8-9-16-14(10-12)18-15(11-17(24)25)21-23(13-6-4-3-5-7-13)20(26)19(18)22(16)2/h3-10H,11H2,1-2H3,(H,24,25)