5-[[(2-methoxy-4-nitro-phenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(2-methoxy-4-nitro-phenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-methoxy-4-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-methoxy-4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-methoxy-4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-methoxy-4-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C12H10N4O5S/c1-21-9-4-6(16(19)20)2-3-8(9)13-5-7-10(17)14-12(22)15-11(7)18/h2-5,13H,1H3,(H2,14,15,17,18,22)