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

Systemtic Name: 4-[(2R)-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]butylazanium Openeye Name: 4-[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]butylammonium CAS Name: 4-[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]butylammonium IUPAC Name: 4-[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]butylazanium Traditional Name: 4-[(2R)-3-keto-2-methyl-6-nitro-1,4-benzoxazin-4-yl]butylammonium Formula: C13H18N3O4+ MolecularWeight: 280.29972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c1-9-13(17)15(7-3-2-6-14)11-8-10(16(18)19)4-5-12(11)20-9/h4-5,8-9H,2-3,6-7,14H2,1H3/p+1/t9-/m1/s1