butyl 4-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-ketocinnolin-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C21H21N3O4/c1-2-3-12-28-21(27)15-8-10-16(11-9-15)23-20(26)14-24-18-7-5-4-6-17(18)19(25)13-22-24/h4-11,13H,2-3,12,14H2,1H3,(H,23,26)