N-(3-bromanyl-2,2-dimethyl-7-nitro-4-oxidanyl-3,4-dihydrochromen-6-yl)benzamide

Systemtic Name: N-(3-bromanyl-2,2-dimethyl-7-nitro-4-oxidanyl-3,4-dihydrochromen-6-yl)benzamide Openeye Name: N-(3-bromo-4-hydroxy-2,2-dimethyl-7-nitro-chroman-6-yl)benzamide CAS Name: N-(3-bromo-4-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl)benzamide IUPAC Name: N-(3-bromo-4-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-6-yl)benzamide Traditional Name: N-(3-bromo-4-hydroxy-2,2-dimethyl-7-nitro-chroman-6-yl)benzamide Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)C3=CC=CC=C3)O)Br)C

Isomeric SMILES

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)C3=CC=CC=C3)O)Br)C

InChI

InChI=1S/C18H17BrN2O5/c1-18(2)16(19)15(22)11-8-12(13(21(24)25)9-14(11)26-18)20-17(23)10-6-4-3-5-7-10/h3-9,15-16,22H,1-2H3,(H,20,23)