3-nitro-4-pyrrolidin-1-yl-thiochromen-2-one

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-thiochromen-2-one Openeye Name: 3-nitro-4-pyrrolidin-1-yl-thiochromen-2-one CAS Name: 3-nitro-4-(1-pyrrolidinyl)-1-benzothiopyran-2-one IUPAC Name: 3-nitro-4-pyrrolidin-1-ylthiochromen-2-one Traditional Name: 3-nitro-4-pyrrolidino-thiochromen-2-one Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O3S/c16-13-12(15(17)18)11(14-7-3-4-8-14)9-5-1-2-6-10(9)19-13/h1-2,5-6H,3-4,7-8H2