ethanoyl-[4-[(5-nitrofuran-2-yl)carbonyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium

Systemtic Name: ethanoyl-[4-[(5-nitrofuran-2-yl)carbonyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: acetyl-[2-hydroxy-4-[(5-nitrofuran-2-carbonyl)oxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: acetyl-[2-hydroxy-4-[[(5-nitro-2-furanyl)-oxomethoxy]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: acetyl-[2-hydroxy-4-[(5-nitrofuran-2-carbonyl)oxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: acetyl-[2-hydroxy-4-[(5-nitro-2-furoyl)oxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C17H17N2O8+ MolecularWeight: 377.32548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O8/c1-9(20)18-11-2-3-12-10(6-16(21)27-14(12)7-11)8-25-17(22)13-4-5-15(26-13)19(23)24/h4-6,14,21H,2-3,7-8H2,1H3/p+1