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

Systemtic Name: 4-[(2R)-6-nitro-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butylazanium Openeye Name: 4-[(2R)-2-isopropyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]butylammonium CAS Name: 4-[(2R)-6-nitro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butylammonium IUPAC Name: 4-[(2R)-6-nitro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butylazanium Traditional Name: 4-[(2R)-2-isopropyl-3-keto-6-nitro-1,4-benzoxazin-4-yl]butylammonium Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c1-10(2)14-15(19)17(8-4-3-7-16)12-9-11(18(20)21)5-6-13(12)22-14/h5-6,9-10,14H,3-4,7-8,16H2,1-2H3/p+1/t14-/m1/s1