2-(2-methyl-3,5-dinitro-phenyl)-3,1-benzoxazin-4-one

Systemtic Name: 2-(2-methyl-3,5-dinitro-phenyl)-3,1-benzoxazin-4-one Openeye Name: 2-(2-methyl-3,5-dinitro-phenyl)-3,1-benzoxazin-4-one CAS Name: 2-(2-methyl-3,5-dinitrophenyl)-3,1-benzoxazin-4-one IUPAC Name: 2-(2-methyl-3,5-dinitrophenyl)-3,1-benzoxazin-4-one Traditional Name: 2-(2-methyl-3,5-dinitro-phenyl)-3,1-benzoxazin-4-one Formula: C15H9N3O6 MolecularWeight: 327.24846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=NC3=CC=CC=C3C(=O)O2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C2=NC3=CC=CC=C3C(=O)O2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O6/c1-8-11(6-9(17(20)21)7-13(8)18(22)23)14-16-12-5-3-2-4-10(12)15(19)24-14/h2-7H,1H3