4-[bis(prop-2-enyl)amino]-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one

Systemtic Name: 4-[bis(prop-2-enyl)amino]-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Openeye Name: 4-(diallylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one CAS Name: 4-[bis(prop-2-enyl)amino]-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one IUPAC Name: 4-[bis(prop-2-enyl)amino]-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Traditional Name: 4-(diallylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Formula: C14H11F3N2O3S2 MolecularWeight: 376.37395

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C=CCN(CC=C)C1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11F3N2O3S2/c1-3-5-18(6-4-2)10-9(19(21)22)7-8(14(15,16)17)11-12(10)24-13(20)23-11/h3-4,7H,1-2,5-6H2