1-(3-chloranyl-4-methyl-phenyl)-5-[(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-[(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-chloro-4-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-(3-ethoxy-4-hydroxy-5-nitro-benzylidene)barbituric acid Formula: C20H16ClN3O7 MolecularWeight: 445.80994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C20H16ClN3O7/c1-3-31-16-8-11(7-15(17(16)25)24(29)30)6-13-18(26)22-20(28)23(19(13)27)12-5-4-10(2)14(21)9-12/h4-9,25H,3H2,1-2H3,(H,22,26,28)