ethyl 4-[1,3-bis(oxidanylidene)-4-[(2-pyridin-3-ylcarbonylhydrazinyl)methylidene]isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[1,3-bis(oxidanylidene)-4-[(2-pyridin-3-ylcarbonylhydrazinyl)methylidene]isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[1,3-dioxo-4-[[2-(pyridine-3-carbonyl)hydrazino]methylene]-2-isoquinolyl]benzoate CAS Name: 4-[1,3-dioxo-4-[[[oxo(3-pyridinyl)methyl]hydrazo]methylidene]-2-isoquinolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1,3-dioxo-4-[[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]isoquinolin-2-yl]benzoate Traditional Name: 4-[1,3-diketo-4-[(N'-nicotinoylhydrazino)methylene]-2-isoquinolyl]benzoic acid ethyl ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNNC(=O)C4=CN=CC=C4)C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNNC(=O)C4=CN=CC=C4)C2=O

InChI

InChI=1S/C25H20N4O5/c1-2-34-25(33)16-9-11-18(12-10-16)29-23(31)20-8-4-3-7-19(20)21(24(29)32)15-27-28-22(30)17-6-5-13-26-14-17/h3-15,27H,2H2,1H3,(H,28,30)