(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-di(propan-2-yl)azanium

Systemtic Name: (6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: (6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-di(propan-2-yl)ammonium IUPAC Name: (6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[(2-keto-6-nitro-1,3-benzoxazol-3-yl)methyl]ammonium Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C(C)C

Isomeric SMILES

CC(C)[NH+](CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C(C)C

InChI

InChI=1S/C14H19N3O4/c1-9(2)15(10(3)4)8-16-12-6-5-11(17(19)20)7-13(12)21-14(16)18/h5-7,9-10H,8H2,1-4H3/p+1