3-[(2R)-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]propylazanium

Systemtic Name: 3-[(2R)-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]propylazanium Openeye Name: 3-[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propylammonium CAS Name: 3-[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propylammonium IUPAC Name: 3-[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propylazanium Traditional Name: 3-[(2R)-3-keto-2-methyl-6-nitro-1,4-benzoxazin-4-yl]propylammonium Formula: C12H16N3O4+ MolecularWeight: 266.27314

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCC[NH3+]

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCC[NH3+]

InChI

InChI=1S/C12H15N3O4/c1-8-12(16)14(6-2-5-13)10-7-9(15(17)18)3-4-11(10)19-8/h3-4,7-8H,2,5-6,13H2,1H3/p+1/t8-/m1/s1