5-butyl-2-(3,5-dinitrophenyl)-6-oxidanyl-1,3-oxazin-4-one

Systemtic Name: 5-butyl-2-(3,5-dinitrophenyl)-6-oxidanyl-1,3-oxazin-4-one Openeye Name: 5-butyl-2-(3,5-dinitrophenyl)-6-hydroxy-1,3-oxazin-4-one CAS Name: 5-butyl-2-(3,5-dinitrophenyl)-6-hydroxy-1,3-oxazin-4-one IUPAC Name: 5-butyl-2-(3,5-dinitrophenyl)-6-hydroxy-1,3-oxazin-4-one Traditional Name: 5-butyl-2-(3,5-dinitrophenyl)-6-hydroxy-1,3-oxazin-4-one Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(OC(=NC1=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CCCCC1=C(OC(=NC1=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C14H13N3O7/c1-2-3-4-11-12(18)15-13(24-14(11)19)8-5-9(16(20)21)7-10(6-8)17(22)23/h5-7,19H,2-4H2,1H3