1-(4-nitrophenyl)-3-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione

Systemtic Name: 1-(4-nitrophenyl)-3-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 3-[(5-allyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione CAS Name: 3-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]-1-(4-nitrophenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione Traditional Name: 3-[(5-allyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-1-(4-nitrophenyl)pyrrolidine-2,5-quinone Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C=CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N4O6S/c1-2-3-11-14(23)18-17(19-15(11)24)28-12-8-13(22)20(16(12)25)9-4-6-10(7-5-9)21(26)27/h2,4-7,12H,1,3,8H2,(H2,18,19,23,24)