ethanoyl-[4-[(3-methyl-2-nitro-phenyl)carbonyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium

Systemtic Name: ethanoyl-[4-[(3-methyl-2-nitro-phenyl)carbonyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: acetyl-[2-hydroxy-4-[(3-methyl-2-nitro-benzoyl)oxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: acetyl-[2-hydroxy-4-[[(3-methyl-2-nitrophenyl)-oxomethoxy]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: acetyl-[2-hydroxy-4-[(3-methyl-2-nitrobenzoyl)oxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: acetyl-[2-hydroxy-4-[(3-methyl-2-nitro-benzoyl)oxymethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C20H21N2O7+ MolecularWeight: 401.38994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=C3CCC(=[NH+]C(=O)C)CC3OC(=C2)O

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=C3CCC(=[NH+]C(=O)C)CC3OC(=C2)O

InChI

InChI=1S/C20H20N2O7/c1-11-4-3-5-16(19(11)22(26)27)20(25)28-10-13-8-18(24)29-17-9-14(21-12(2)23)6-7-15(13)17/h3-5,8,17,24H,6-7,9-10H2,1-2H3/p+1