(3S)-N-(2-bromanyl-4-nitro-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3S)-N-(2-bromanyl-4-nitro-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-(2-bromo-4-nitro-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(2-bromo-4-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(2-bromo-4-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-N-(2-bromo-4-nitro-phenyl)-1-keto-isochroman-3-carboxamide Formula: C16H11BrN2O5 MolecularWeight: 391.17294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H11BrN2O5/c17-12-8-10(19(22)23)5-6-13(12)18-15(20)14-7-9-3-1-2-4-11(9)16(21)24-14/h1-6,8,14H,7H2,(H,18,20)/t14-/m0/s1