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

Systemtic Name: 1-(3-nitrophenyl)-5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-nitrophenyl)-5-[(3-prop-2-ynoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-nitrophenyl)-5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-nitrophenyl)-5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-nitrophenyl)-5-(3-propargyloxybenzylidene)barbituric acid Formula: C20H13N3O6 MolecularWeight: 391.33372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O6/c1-2-9-29-16-8-3-5-13(10-16)11-17-18(24)21-20(26)22(19(17)25)14-6-4-7-15(12-14)23(27)28/h1,3-8,10-12H,9H2,(H,21,24,26)