(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enenitrile Openeye Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enenitrile CAS Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenenitrile IUPAC Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enenitrile Traditional Name: (E)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acrylonitrile Formula: C20H14ClN3O4 MolecularWeight: 395.79586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=C(C#N)C3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C20H14ClN3O4/c1-26-16-7-11(8-17-18(16)28-5-4-27-17)6-12(10-22)19-23-15-9-13(21)2-3-14(15)20(25)24-19/h2-3,6-9H,4-5H2,1H3,(H,23,24,25)/b12-6+