5-(3,4-dimethylphenyl)-N-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide Openeye Name: N-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-5-(3,4-dimethylphenyl)isoxazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide Traditional Name: N-(4-allyl-3-keto-1,4-benzoxazin-6-yl)-5-(3,4-dimethylphenyl)isoxazole-3-carboxamide Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4CC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4CC=C)C

InChI

InChI=1S/C23H21N3O4/c1-4-9-26-19-11-17(7-8-20(19)29-13-22(26)27)24-23(28)18-12-21(30-25-18)16-6-5-14(2)15(3)10-16/h4-8,10-12H,1,9,13H2,2-3H3,(H,24,28)