5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxylic acid

Systemtic Name: 5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxylic acid Openeye Name: 5-methyl-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carboxylic acid CAS Name: 5-methyl-3-(4-methylphenyl)-4-oxo-1-pyridazino[4,5-b]indolecarboxylic acid IUPAC Name: 5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxylic acid Traditional Name: 4-keto-5-methyl-3-(p-tolyl)pyridazin[4,5-b]indole-1-carboxylic acid Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)O

InChI

InChI=1S/C19H15N3O3/c1-11-7-9-12(10-8-11)22-18(23)17-15(16(20-22)19(24)25)13-5-3-4-6-14(13)21(17)2/h3-10H,1-2H3,(H,24,25)