1-(3-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H13N3O7S MolecularWeight: 427.38742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)NC2=S

InChI

InChI=1S/C19H13N3O7S/c1-27-12-4-2-3-11(7-12)21-18(24)13(17(23)20-19(21)30)5-10-6-15-16(29-9-28-15)8-14(10)22(25)26/h2-8H,9H2,1H3,(H,20,23,30)