(6,6-dimethyl-2-oxidanidyl-4,5-dihydro-1,2-oxazin-2-ium-4-yl) 4-nitrobenzoate

Systemtic Name: (6,6-dimethyl-2-oxidanidyl-4,5-dihydro-1,2-oxazin-2-ium-4-yl) 4-nitrobenzoate Openeye Name: (6,6-dimethyl-2-oxido-4,5-dihydrooxazin-2-ium-4-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6,6-dimethyl-2-oxido-4,5-dihydrooxazin-2-ium-4-yl) ester IUPAC Name: (6,6-dimethyl-2-oxido-4,5-dihydrooxazin-2-ium-4-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6,6-dimethyl-2-oxido-4,5-dihydrooxazin-2-ium-4-yl) ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C=[N+](O1)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(C=[N+](O1)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N2O6/c1-13(2)7-11(8-14(17)21-13)20-12(16)9-3-5-10(6-4-9)15(18)19/h3-6,8,11H,7H2,1-2H3