2-methoxy-6-nitro-4-(spiro[indene-1,4'-piperidin-1-ium]-1'-ylmethyl)phenolate

Systemtic Name: 2-methoxy-6-nitro-4-(spiro[indene-1,4'-piperidin-1-ium]-1'-ylmethyl)phenolate Openeye Name: 2-methoxy-6-nitro-4-(spiro[indene-1,4'-piperidin-1-ium]-1'-ylmethyl)phenolate CAS Name: 2-methoxy-6-nitro-4-(1'-spiro[indene-1,4'-piperidin-1-ium]ylmethyl)phenolate IUPAC Name: 2-methoxy-6-nitro-4-(spiro[indene-1,4'-piperidin-1-ium]-1'-ylmethyl)phenolate Traditional Name: 2-methoxy-6-nitro-4-(spiro[indene-1,4'-piperidin-1-ium]-1'-ylmethyl)phenolate Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCC3(CC2)C=CC4=CC=CC=C34

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCC3(CC2)C=CC4=CC=CC=C34

InChI

InChI=1S/C21H22N2O4/c1-27-19-13-15(12-18(20(19)24)23(25)26)14-22-10-8-21(9-11-22)7-6-16-4-2-3-5-17(16)21/h2-7,12-13,24H,8-11,14H2,1H3