2-azanyl-4-[2,4-bis(fluoranyl)phenyl]-6-ethoxy-7-methyl-5-oxidanylidene-4H-oxepine-3-carbonitrile

Systemtic Name: 2-azanyl-4-[2,4-bis(fluoranyl)phenyl]-6-ethoxy-7-methyl-5-oxidanylidene-4H-oxepine-3-carbonitrile Openeye Name: 2-amino-4-(2,4-difluorophenyl)-6-ethoxy-7-methyl-5-oxo-4H-oxepine-3-carbonitrile CAS Name: 2-amino-4-(2,4-difluorophenyl)-6-ethoxy-7-methyl-5-oxo-4H-oxepin-3-carbonitrile IUPAC Name: 2-amino-4-(2,4-difluorophenyl)-6-ethoxy-7-methyl-5-oxo-4H-oxepine-3-carbonitrile Traditional Name: 2-amino-4-(2,4-difluorophenyl)-6-ethoxy-5-keto-7-methyl-4H-oxepin-3-carbonitrile Formula: C16H14F2N2O3 MolecularWeight: 320.290766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC(=C(C(C1=O)C2=C(C=C(C=C2)F)F)C#N)N)C

Isomeric SMILES

CCOC1=C(OC(=C(C(C1=O)C2=C(C=C(C=C2)F)F)C#N)N)C

InChI

InChI=1S/C16H14F2N2O3/c1-3-22-15-8(2)23-16(20)11(7-19)13(14(15)21)10-5-4-9(17)6-12(10)18/h4-6,13H,3,20H2,1-2H3