ethyl 2-[2-(4-oxidanylidene-2H-pyridazino[4,5-b]indol-3-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2H-pyridazino[4,5-b]indol-3-yl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(4-oxo-2H-pyridazino[4,5-b]indol-3-yl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-(4-oxo-2H-pyridazino[4,5-b]indol-3-yl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-oxo-2H-pyridazino[4,5-b]indol-3-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-keto-2H-pyridazin[4,5-b]indol-3-yl)acetyl]amino]benzoic acid ethyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=NC4=CC=CC=C4C3=CN2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=NC4=CC=CC=C4C3=CN2

InChI

InChI=1S/C21H18N4O4/c1-2-29-21(28)14-8-4-6-10-17(14)23-18(26)12-25-20(27)19-15(11-22-25)13-7-3-5-9-16(13)24-19/h3-11,22H,2,12H2,1H3,(H,23,26)