ethyl 7-nitro-3,4-dihydroisoquinolin-2-ium-2-carboxylate

Systemtic Name: ethyl 7-nitro-3,4-dihydroisoquinolin-2-ium-2-carboxylate Openeye Name: ethyl 7-nitro-3,4-dihydroisoquinolin-2-ium-2-carboxylate CAS Name: 7-nitro-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-nitro-3,4-dihydroisoquinolin-2-ium-2-carboxylate Traditional Name: 7-nitro-3,4-dihydroisoquinolin-2-ium-2-carboxylic acid ethyl ester Formula: C12H13N2O4+ MolecularWeight: 249.24262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=CC2=C(CC1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[N+]1=CC2=C(CC1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N2O4/c1-2-18-12(15)13-6-5-9-3-4-11(14(16)17)7-10(9)8-13/h3-4,7-8H,2,5-6H2,1H3/q+1