(5E)-1-butyl-5-[[(3-nitrophenyl)amino]methylidene]-3-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-butyl-5-[[(3-nitrophenyl)amino]methylidene]-3-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-allyl-3-butyl-5-[(3-nitroanilino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-butyl-5-[(3-nitroanilino)methylidene]-3-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-butyl-5-[(3-nitroanilino)methylidene]-3-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-allyl-3-butyl-5-[(3-nitroanilino)methylene]barbituric acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C1=O)CC=C

Isomeric SMILES

CCCCN1C(=O)/C(=C\NC2=CC(=CC=C2)[N+](=O)[O-])/C(=O)N(C1=O)CC=C

InChI

InChI=1S/C18H20N4O5/c1-3-5-10-21-17(24)15(16(23)20(9-4-2)18(21)25)12-19-13-7-6-8-14(11-13)22(26)27/h4,6-8,11-12,19H,2-3,5,9-10H2,1H3/b15-12-