N-(6-methyl-4-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(6-methyl-4-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(5-allyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-nitro-benzenesulfonamide CAS Name: N-(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-3-nitro-benzenesulfonamide Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C14H14N4O5S/c1-3-5-12-9(2)15-14(16-13(12)19)17-24(22,23)11-7-4-6-10(8-11)18(20)21/h3-4,6-8H,1,5H2,2H3,(H2,15,16,17,19)