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

Systemtic Name: 5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enyl-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-allyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-allyl-5-ethoxy-4-(4-nitrobenzyl)oxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])CC=C)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])CC=C)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C23H21N3O6S/c1-3-5-16-10-15(11-18-21(27)24-23(33)25-22(18)28)12-19(31-4-2)20(16)32-13-14-6-8-17(9-7-14)26(29)30/h3,6-12H,1,4-5,13H2,2H3,(H2,24,25,27,28,33)