(5E)-5-[(3-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(3-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(3-nitrophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(3-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(3-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-(3-nitrobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC1=S

InChI

InChI=1S/C14H11N3O4S/c1-2-6-16-13(19)11(12(18)15-14(16)22)8-9-4-3-5-10(7-9)17(20)21/h2-5,7-8H,1,6H2,(H,15,18,22)/b11-8+