dimethyl-[1-(3-nitro-5-oxidanyl-1-benzofuran-2-yl)prop-1-en-2-yl]azanium

Systemtic Name: dimethyl-[1-(3-nitro-5-oxidanyl-1-benzofuran-2-yl)prop-1-en-2-yl]azanium Openeye Name: [2-(5-hydroxy-3-nitro-benzofuran-2-yl)-1-methyl-vinyl]-dimethyl-ammonium CAS Name: 1-(5-hydroxy-3-nitro-2-benzofuranyl)prop-1-en-2-yl-dimethylammonium IUPAC Name: 1-(5-hydroxy-3-nitro-1-benzofuran-2-yl)prop-1-en-2-yl-dimethylazanium Traditional Name: [2-(5-hydroxy-3-nitro-benzofuran-2-yl)-1-methyl-vinyl]-dimethyl-ammonium Formula: C13H15N2O4+ MolecularWeight: 263.2692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-8(14(2)3)6-12-13(15(17)18)10-7-9(16)4-5-11(10)19-12/h4-7,16H,1-3H3/p+1