1,3-dimethyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-(3-nitro-4-pyrrolidino-benzylidene)barbituric acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C17H18N4O5/c1-18-15(22)12(16(23)19(2)17(18)24)9-11-5-6-13(14(10-11)21(25)26)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3