4-(tert-butylamino)-3-nitro-thiochromen-2-one

Systemtic Name: 4-(tert-butylamino)-3-nitro-thiochromen-2-one Openeye Name: 4-(tert-butylamino)-3-nitro-thiochromen-2-one CAS Name: 4-(tert-butylamino)-3-nitro-1-benzothiopyran-2-one IUPAC Name: 4-(tert-butylamino)-3-nitrothiochromen-2-one Traditional Name: 4-(tert-butylamino)-3-nitro-thiochromen-2-one Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c1-13(2,3)14-10-8-6-4-5-7-9(8)19-12(16)11(10)15(17)18/h4-7,14H,1-3H3