dimethyl 5-[2-(4-oxidanylidene-2H-pyridazino[4,5-b]indol-3-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-oxidanylidene-2H-pyridazino[4,5-b]indol-3-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-oxo-2H-pyridazino[4,5-b]indol-3-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(4-oxo-2H-pyridazino[4,5-b]indol-3-yl)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-oxo-2H-pyridazino[4,5-b]indol-3-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-keto-2H-pyridazin[4,5-b]indol-3-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=NC4=CC=CC=C4C3=CN2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=NC4=CC=CC=C4C3=CN2)C(=O)OC

InChI

InChI=1S/C22H18N4O6/c1-31-21(29)12-7-13(22(30)32-2)9-14(8-12)24-18(27)11-26-20(28)19-16(10-23-26)15-5-3-4-6-17(15)25-19/h3-10,23H,11H2,1-2H3,(H,24,27)