(4aS,8aS)-N-(2,3-dimethylphenyl)-4-oxidanylidene-4a,8a-dihydrochromene-2-carboxamide

Systemtic Name: (4aS,8aS)-N-(2,3-dimethylphenyl)-4-oxidanylidene-4a,8a-dihydrochromene-2-carboxamide Openeye Name: (4aS,8aS)-N-(2,3-dimethylphenyl)-4-oxo-4a,8a-dihydrochromene-2-carboxamide CAS Name: (4aS,8aS)-N-(2,3-dimethylphenyl)-4-oxo-4a,8a-dihydro-1-benzopyran-2-carboxamide IUPAC Name: (4aS,8aS)-N-(2,3-dimethylphenyl)-4-oxo-4a,8a-dihydrochromene-2-carboxamide Traditional Name: (4aS,8aS)-N-(2,3-dimethylphenyl)-4-keto-4a,8a-dihydrochromene-2-carboxamide Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CC(=O)C3C=CC=CC3O2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CC(=O)[C@H]3C=CC=C[C@@H]3O2)C

InChI

InChI=1S/C18H17NO3/c1-11-6-5-8-14(12(11)2)19-18(21)17-10-15(20)13-7-3-4-9-16(13)22-17/h3-10,13,16H,1-2H3,(H,19,21)/t13-,16+/m1/s1