5-[(3-chloranyl-4-prop-2-ynoxy-phenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3-chloranyl-4-prop-2-ynoxy-phenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-chloro-4-prop-2-ynoxy-phenyl)methylene]-1-(3-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-chloro-4-propargyloxy-benzylidene)-1-(3-nitrophenyl)barbituric acid Formula: C20H12ClN3O6 MolecularWeight: 425.77878

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H12ClN3O6/c1-2-8-30-17-7-6-12(10-16(17)21)9-15-18(25)22-20(27)23(19(15)26)13-4-3-5-14(11-13)24(28)29/h1,3-7,9-11H,8H2,(H,22,25,27)