2-[1-(4-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-5-prop-2-enyl-1H-pyrimidine-4,6-dione

Systemtic Name: 2-[1-(4-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-5-prop-2-enyl-1H-pyrimidine-4,6-dione Openeye Name: 5-allyl-2-[1-(4-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1H-pyrimidine-4,6-dione CAS Name: 2-[[1-(4-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-5-prop-2-enyl-1H-pyrimidine-4,6-dione IUPAC Name: 2-[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-5-prop-2-enyl-1H-pyrimidine-4,6-dione Traditional Name: 5-allyl-2-[[2,5-diketo-1-(4-nitrophenyl)pyrrolidin-3-yl]thio]-1H-pyrimidine-4,6-quinone Formula: C17H14N4O6S MolecularWeight: 402.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C(=O)NC(=NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCC1C(=O)NC(=NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=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/h2,4-7,11-12H,1,3,8H2,(H,18,19,23,24)