(3R,4R)-4-(5-bromanyl-1H-indol-3-yl)-3-nitro-3-(3-oxidanylidenebutyl)-4H-chromen-2-one

Systemtic Name: (3R,4R)-4-(5-bromanyl-1H-indol-3-yl)-3-nitro-3-(3-oxidanylidenebutyl)-4H-chromen-2-one Openeye Name: (3R,4R)-4-(5-bromo-1H-indol-3-yl)-3-nitro-3-(3-oxobutyl)chroman-2-one CAS Name: (3R,4R)-4-(5-bromo-1H-indol-3-yl)-3-nitro-3-(3-oxobutyl)-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: (3R,4R)-4-(5-bromo-1H-indol-3-yl)-3-nitro-3-(3-oxobutyl)-4H-chromen-2-one Traditional Name: (3R,4R)-4-(5-bromo-1H-indol-3-yl)-3-(3-ketobutyl)-3-nitro-chroman-2-one Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(C2=CC=CC=C2OC1=O)C3=CNC4=C3C=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC[C@]1([C@@H](C2=CC=CC=C2OC1=O)C3=CNC4=C3C=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H17BrN2O5/c1-12(25)8-9-21(24(27)28)19(14-4-2-3-5-18(14)29-20(21)26)16-11-23-17-7-6-13(22)10-15(16)17/h2-7,10-11,19,23H,8-9H2,1H3/t19-,21+/m0/s1