6-bromanyl-N-(2-cyanophenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-(2-cyanophenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 6-bromo-N-(2-cyanophenyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-(2-cyanophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(2-cyanophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 6-bromo-N-(2-cyanophenyl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C18H13BrN2O3 MolecularWeight: 385.21142

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C18H13BrN2O3/c1-18(17(23)21-15-5-3-2-4-11(15)10-20)9-12-8-13(19)6-7-14(12)16(22)24-18/h2-8H,9H2,1H3,(H,21,23)