(E)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)-2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)-2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(2-chloro-6-methoxy-3-quinolyl)-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(2-chloro-6-methoxy-3-quinolinyl)-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-2-(6-iodo-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-chloro-6-methoxy-3-quinolyl)-2-(6-iodo-4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C21H12ClIN4O2 MolecularWeight: 514.70305

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(N=C2C=C1)Cl)C=C(C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)I

Isomeric SMILES

COC1=CC2=CC(=C(N=C2C=C1)Cl)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=CC(=C4)I

InChI

InChI=1S/C21H12ClIN4O2/c1-29-15-3-5-17-11(8-15)6-12(19(22)25-17)7-13(10-24)20-26-18-4-2-14(23)9-16(18)21(28)27-20/h2-9H,1H3,(H,26,27,28)/b13-7+