(2S)-N-(2,3-dimethylphenyl)-2-(6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: (2S)-N-(2,3-dimethylphenyl)-2-(6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: (2S)-N-(2,3-dimethylphenyl)-2-(6-formyl-3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: (2S)-N-(2,3-dimethylphenyl)-2-(6-formyl-3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: (2S)-N-(2,3-dimethylphenyl)-2-(6-formyl-3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: (2S)-N-(2,3-dimethylphenyl)-2-(6-formyl-3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C)N2C(=O)COC3=C2C=C(C=C3)C=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)[C@H](C)N2C(=O)COC3=C2C=C(C=C3)C=O)C

InChI

InChI=1S/C20H20N2O4/c1-12-5-4-6-16(13(12)2)21-20(25)14(3)22-17-9-15(10-23)7-8-18(17)26-11-19(22)24/h4-10,14H,11H2,1-3H3,(H,21,25)/t14-/m0/s1