3-(2,2-dimethyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propylazanium

Systemtic Name: 3-(2,2-dimethyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propylazanium Openeye Name: 3-(2,2-dimethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propylammonium CAS Name: 3-(2,2-dimethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propylammonium IUPAC Name: 3-(2,2-dimethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propylazanium Traditional Name: 3-(3-keto-2,2-dimethyl-6-nitro-1,4-benzoxazin-4-yl)propylammonium Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCC[NH3+])C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCC[NH3+])C

InChI

InChI=1S/C13H17N3O4/c1-13(2)12(17)15(7-3-6-14)10-8-9(16(18)19)4-5-11(10)20-13/h4-5,8H,3,6-7,14H2,1-2H3/p+1