2-(4-tert-butylphenyl)-3-oxidanylidene-1H-pyridazino[4,3-b]indole-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-3-oxidanylidene-1H-pyridazino[4,3-b]indole-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-3-oxo-1H-pyridazino[4,3-b]indole-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-3-oxo-1H-pyridazino[4,3-b]indole-4-carboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-3-oxo-1H-pyridazino[4,3-b]indole-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-3-keto-1H-pyridazin[4,3-b]indole-4-carboxylic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=C3C(=C4C=CC=CC4=N3)N2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=C3C(=C4C=CC=CC4=N3)N2)C(=O)O

InChI

InChI=1S/C21H19N3O3/c1-21(2,3)12-8-10-13(11-9-12)24-19(25)16(20(26)27)18-17(23-24)14-6-4-5-7-15(14)22-18/h4-11,23H,1-3H3,(H,26,27)