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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-5-methyl-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxylic acid Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-5-methyl-4-oxo-pyridazino[4,5-b]indole-1-carboxylic acid CAS Name: 3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-1-pyridazino[4,5-b]indolecarboxylic acid IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxylic acid Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-5-methyl-pyridazin[4,5-b]indole-1-carboxylic acid Formula: C19H14ClN3O4 MolecularWeight: 383.78516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3C(=O)O)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3C(=O)O)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C19H14ClN3O4/c1-22-13-6-4-3-5-11(13)15-16(19(25)26)21-23(18(24)17(15)22)10-7-8-14(27-2)12(20)9-10/h3-9H,1-2H3,(H,25,26)