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

Systemtic Name: 3-[(2R)-6-nitro-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propylazanium Openeye Name: 3-[(2R)-2-isopropyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propylammonium CAS Name: 3-[(2R)-6-nitro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propylammonium IUPAC Name: 3-[(2R)-6-nitro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propylazanium Traditional Name: 3-[(2R)-2-isopropyl-3-keto-6-nitro-1,4-benzoxazin-4-yl]propylammonium Formula: C14H20N3O4+ MolecularWeight: 294.3263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCC[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-9(2)13-14(18)16(7-3-6-15)11-8-10(17(19)20)4-5-12(11)21-13/h4-5,8-9,13H,3,6-7,15H2,1-2H3/p+1/t13-/m1/s1