1-[(E)-4-chloranylbut-2-enoyl]-9-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2,3-dihydropyrido[3,2-g][1,4]benzoxazine-8-carbonitrile

Systemtic Name: 1-[(E)-4-chloranylbut-2-enoyl]-9-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2,3-dihydropyrido[3,2-g][1,4]benzoxazine-8-carbonitrile Openeye Name: 1-[(E)-4-chlorobut-2-enoyl]-9-(3-chloro-4-fluoro-anilino)-2,3-dihydropyrido[3,2-g][1,4]benzoxazine-8-carbonitrile CAS Name: 9-(3-chloro-4-fluoroanilino)-1-[(E)-4-chloro-1-oxobut-2-enyl]-2,3-dihydropyrido[3,2-g][1,4]benzoxazine-8-carbonitrile IUPAC Name: 1-[(E)-4-chlorobut-2-enoyl]-9-(3-chloro-4-fluoroanilino)-2,3-dihydropyrido[3,2-g][1,4]benzoxazine-8-carbonitrile Traditional Name: 1-[(E)-4-chlorobut-2-enoyl]-9-(3-chloro-4-fluoro-anilino)-2,3-dihydropyrido[3,2-g][1,4]benzoxazine-8-carbonitrile Formula: C22H15Cl2FN4O2 MolecularWeight: 457.284503

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1C(=O)C=CCCl)C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4)F)Cl)C#N

Isomeric SMILES

C1COC2=C(N1C(=O)/C=C/CCl)C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4)F)Cl)C#N

InChI

InChI=1S/C22H15Cl2FN4O2/c23-5-1-2-21(30)29-6-7-31-20-10-18-15(9-19(20)29)22(13(11-26)12-27-18)28-14-3-4-17(25)16(24)8-14/h1-4,8-10,12H,5-7H2,(H,27,28)/b2-1+