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

Systemtic Name: [4-[(4,5-dimethoxy-2-nitro-phenyl)carbonyloxymethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]-ethoxycarbonyl-azanium Openeye Name: [4-[(4,5-dimethoxy-2-nitro-benzoyl)oxymethyl]-2-hydroxy-5,6,8,8a-tetrahydrochromen-7-ylidene]-ethoxycarbonyl-ammonium CAS Name: [4-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethoxy]methyl]-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]-ethoxycarbonylammonium IUPAC Name: [4-[(4,5-dimethoxy-2-nitrobenzoyl)oxymethyl]-2-hydroxy-5,6,8,8a-tetrahydrochromen-7-ylidene]-ethoxycarbonylazanium Traditional Name: carbethoxy-[4-[(4,5-dimethoxy-2-nitro-benzoyl)oxymethyl]-2-hydroxy-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C22H25N2O10+ MolecularWeight: 477.4413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O10/c1-4-32-22(27)23-13-5-6-14-12(7-20(25)34-17(14)8-13)11-33-21(26)15-9-18(30-2)19(31-3)10-16(15)24(28)29/h7,9-10,17,25H,4-6,8,11H2,1-3H3/p+1