dimethyl-[[3-(2-nitrooxyethyl)-4-oxidanylidene-2H-1,3-benzoxazin-6-yl]iminomethyl]azanium

Systemtic Name: dimethyl-[[3-(2-nitrooxyethyl)-4-oxidanylidene-2H-1,3-benzoxazin-6-yl]iminomethyl]azanium Openeye Name: dimethyl-[[3-(2-nitrooxyethyl)-4-oxo-2H-1,3-benzoxazin-6-yl]iminomethyl]ammonium CAS Name: dimethyl-[[3-(2-nitrooxyethyl)-4-oxo-2H-1,3-benzoxazin-6-yl]iminomethyl]ammonium IUPAC Name: dimethyl-[[3-(2-nitrooxyethyl)-4-oxo-2H-1,3-benzoxazin-6-yl]iminomethyl]azanium Traditional Name: [4-keto-3-(2-nitrooxyethyl)-2H-1,3-benzoxazin-6-yl]iminomethyl-dimethyl-ammonium Formula: C13H17N4O5+ MolecularWeight: 309.29788

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C=NC1=CC2=C(C=C1)OCN(C2=O)CCO[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C=NC1=CC2=C(C=C1)OCN(C2=O)CCO[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5/c1-15(2)8-14-10-3-4-12-11(7-10)13(18)16(9-21-12)5-6-22-17(19)20/h3-4,7-8H,5-6,9H2,1-2H3/p+1