3-methyl-1',3',5'-trinitro-spiro[1,3-benzoxazole-2,6'-cyclohexa-1,3-diene]

Systemtic Name: 3-methyl-1',3',5'-trinitro-spiro[1,3-benzoxazole-2,6'-cyclohexa-1,3-diene] Openeye Name: 3-methyl-1',3',5'-trinitro-spiro[1,3-benzoxazole-2,6'-cyclohexa-1,3-diene] CAS Name: 3-methyl-1',3',5'-trinitrospiro[1,3-benzoxazole-2,6'-cyclohexa-1,3-diene] IUPAC Name: 3-methyl-1',3',5'-trinitrospiro[1,3-benzoxazole-2,6'-cyclohexa-1,3-diene] Traditional Name: 3-methyl-1',3',5'-trinitro-spiro[1,3-benzoxazole-2,6'-cyclohexa-1,3-diene] Formula: C13H9N4O7- MolecularWeight: 333.23316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2OC13[C-](C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2OC13[C-](C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N4O7/c1-14-9-4-2-3-5-10(9)24-13(14)11(16(20)21)6-8(15(18)19)7-12(13)17(22)23/h2-7H,1H3/q-1