5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzylidene]barbituric acid Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C=C4C(=O)NC(=O)NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C=C4C(=O)NC(=O)NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c25-18-15(19(26)22-20(27)21-18)9-12-5-6-16(17(10-12)24(28)29)23-8-7-13-3-1-2-4-14(13)11-23/h1-6,9-10H,7-8,11H2,(H2,21,22,25,26,27)