5-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-isopropyl-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-isopropyl-3-nitro-benzylidene)barbituric acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-7(2)9-4-3-8(6-11(9)17(21)22)5-10-12(18)15-14(20)16-13(10)19/h3-7H,1-2H3,(H2,15,16,18,19,20)