3-[(4,6-dinitroindazol-1-yl)methyl]-1,3-oxazinan-3-ium

Systemtic Name: 3-[(4,6-dinitroindazol-1-yl)methyl]-1,3-oxazinan-3-ium Openeye Name: 3-[(4,6-dinitroindazol-1-yl)methyl]-1,3-oxazinan-3-ium CAS Name: 3-[(4,6-dinitro-1-indazolyl)methyl]-1,3-oxazinan-3-ium IUPAC Name: 3-[(4,6-dinitroindazol-1-yl)methyl]-1,3-oxazinan-3-ium Traditional Name: 3-[(4,6-dinitroindazol-1-yl)methyl]-1,3-oxazinan-3-ium Formula: C12H14N5O5+ MolecularWeight: 308.27006

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](COC1)CN2C3=CC(=CC(=C3C=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](COC1)CN2C3=CC(=CC(=C3C=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O5/c18-16(19)9-4-11-10(12(5-9)17(20)21)6-13-15(11)7-14-2-1-3-22-8-14/h4-6H,1-3,7-8H2/p+1