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

Systemtic Name: 5-[(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-ethoxy-4-hydroxy-5-nitro-benzylidene)-1-(2-furfuryl)barbituric acid Formula: C18H15N3O8 MolecularWeight: 401.327

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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)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3

InChI

InChI=1S/C18H15N3O8/c1-2-28-14-8-10(7-13(15(14)22)21(26)27)6-12-16(23)19-18(25)20(17(12)24)9-11-4-3-5-29-11/h3-8,22H,2,9H2,1H3,(H,19,23,25)