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

Systemtic Name: 5-[[(3,4-dinitrophenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3,4-dinitroanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3,4-dinitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3,4-dinitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3,4-dinitroanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H7N5O6S MolecularWeight: 337.26818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H7N5O6S/c17-9-6(10(18)14-11(23)13-9)4-12-5-1-2-7(15(19)20)8(3-5)16(21)22/h1-4,12H,(H2,13,14,17,18,23)