N-[(3R,4S)-3-bromanyl-2,2-dimethyl-6-nitro-4-oxidanyl-3,4-dihydrochromen-7-yl]ethanamide

Systemtic Name: N-[(3R,4S)-3-bromanyl-2,2-dimethyl-6-nitro-4-oxidanyl-3,4-dihydrochromen-7-yl]ethanamide Openeye Name: N-[(3R,4S)-3-bromo-4-hydroxy-2,2-dimethyl-6-nitro-chroman-7-yl]acetamide CAS Name: N-[(3R,4S)-3-bromo-4-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-7-yl]acetamide IUPAC Name: N-[(3R,4S)-3-bromo-4-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-7-yl]acetamide Traditional Name: N-[(3R,4S)-3-bromo-4-hydroxy-2,2-dimethyl-6-nitro-chroman-7-yl]acetamide Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(C(C(OC2=C1)(C)C)Br)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2[C@@H]([C@H](C(OC2=C1)(C)C)Br)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15BrN2O5/c1-6(17)15-8-5-10-7(4-9(8)16(19)20)11(18)12(14)13(2,3)21-10/h4-5,11-12,18H,1-3H3,(H,15,17)/t11-,12+/m0/s1