5-[(3-methoxy-4-octoxy-phenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3-methoxy-4-octoxy-phenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-methoxy-4-octoxy-phenyl)methylene]-1-(4-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-methoxy-4-octoxyphenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-methoxy-4-octoxyphenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-methoxy-4-octoxy-benzylidene)-1-(4-nitrophenyl)barbituric acid Formula: C26H29N3O7 MolecularWeight: 495.52436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C26H29N3O7/c1-3-4-5-6-7-8-15-36-22-14-9-18(17-23(22)35-2)16-21-24(30)27-26(32)28(25(21)31)19-10-12-20(13-11-19)29(33)34/h9-14,16-17H,3-8,15H2,1-2H3,(H,27,30,32)