(1R,2R)-5-bromanyl-2-(hydroxymethyl)-4-methoxy-7-nitro-2,3-dihydro-1H-indene-1-carbonitrile

Systemtic Name: (1R,2R)-5-bromanyl-2-(hydroxymethyl)-4-methoxy-7-nitro-2,3-dihydro-1H-indene-1-carbonitrile Openeye Name: (1R,2R)-5-bromo-2-(hydroxymethyl)-4-methoxy-7-nitro-indane-1-carbonitrile CAS Name: (1R,2R)-5-bromo-2-(hydroxymethyl)-4-methoxy-7-nitro-2,3-dihydro-1H-indene-1-carbonitrile IUPAC Name: (1R,2R)-5-bromo-2-(hydroxymethyl)-4-methoxy-7-nitro-2,3-dihydro-1H-indene-1-carbonitrile Traditional Name: (1R,2R)-5-bromo-4-methoxy-2-methylol-7-nitro-indane-1-carbonitrile Formula: C12H11BrN2O4 MolecularWeight: 327.13074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=C1CC(C2C#N)CO)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C2=C1C[C@H]([C@H]2C#N)CO)[N+](=O)[O-])Br

InChI

InChI=1S/C12H11BrN2O4/c1-19-12-7-2-6(5-16)8(4-14)11(7)10(15(17)18)3-9(12)13/h3,6,8,16H,2,5H2,1H3/t6-,8+/m0/s1