[(2R)-6,8-bis(bromanyl)-2-[(1R)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-3-ethoxycarbonyl-chromen-2-yl]azanium

Systemtic Name: [(2R)-6,8-bis(bromanyl)-2-[(1R)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-3-ethoxycarbonyl-chromen-2-yl]azanium Openeye Name: [(2R)-6,8-dibromo-2-[(1R)-1-cyano-2-ethoxy-2-oxo-ethyl]-3-ethoxycarbonyl-chromen-2-yl]ammonium CAS Name: [(2R)-6,8-dibromo-2-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-3-ethoxycarbonyl-1-benzopyran-2-yl]ammonium IUPAC Name: [(2R)-6,8-dibromo-2-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-3-ethoxycarbonylchromen-2-yl]azanium Traditional Name: [(2R)-6,8-dibromo-3-carbethoxy-2-[(1R)-1-cyano-2-ethoxy-2-keto-ethyl]chromen-2-yl]ammonium Formula: C17H17Br2N2O5+ MolecularWeight: 489.13528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC(=CC(=C2OC1(C(C#N)C(=O)OCC)[NH3+])Br)Br

Isomeric SMILES

CCOC(=O)C1=CC2=CC(=CC(=C2O[C@@]1([C@@H](C#N)C(=O)OCC)[NH3+])Br)Br

InChI

InChI=1S/C17H16Br2N2O5/c1-3-24-15(22)11-6-9-5-10(18)7-13(19)14(9)26-17(11,21)12(8-20)16(23)25-4-2/h5-7,12H,3-4,21H2,1-2H3/p+1/t12-,17-/m0/s1