N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionamide Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

C[C@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C20H21ClN2O5/c1-12-20(25)23(15-6-4-5-7-16(15)28-12)9-8-19(24)22-14-11-17(26-2)13(21)10-18(14)27-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)/t12-/m0/s1