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

Systemtic Name: 5-[[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-isopentyloxy-5-methoxy-2-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-isoamoxy-5-methoxy-2-nitro-benzylidene)barbituric acid Formula: C17H19N3O7 MolecularWeight: 377.34866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O)OC

InChI

InChI=1S/C17H19N3O7/c1-9(2)4-5-27-14-8-12(20(24)25)10(7-13(14)26-3)6-11-15(21)18-17(23)19-16(11)22/h6-9H,4-5H2,1-3H3,(H2,18,19,21,22,23)