(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]prop-2-enamide Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]prop-2-enamide CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]prop-2-enamide Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]acrylamide Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)NC2=CC3=C(C=C2)OC(C(=O)N3)C)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)O[C@@H](C(=O)N3)C)Cl)OC

InChI

InChI=1S/C21H21ClN2O5/c1-4-28-18-10-13(9-15(22)20(18)27-3)5-8-19(25)23-14-6-7-17-16(11-14)24-21(26)12(2)29-17/h5-12H,4H2,1-3H3,(H,23,25)(H,24,26)/b8-5+/t12-/m1/s1