ethyl 2-(4-nitrophenyl)sulfonyl-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(4-nitrophenyl)sulfonyl-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylate Openeye Name: ethyl 2-(4-nitrophenyl)sulfonyl-1-oxo-3,4-dihydroisoquinoline-3-carboxylate CAS Name: 2-(4-nitrophenyl)sulfonyl-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-nitrophenyl)sulfonyl-1-oxo-3,4-dihydroisoquinoline-3-carboxylate Traditional Name: 1-keto-2-nosyl-3,4-dihydroisoquinoline-3-carboxylic acid ethyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2C(=O)N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2C(=O)N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7S/c1-2-27-18(22)16-11-12-5-3-4-6-15(12)17(21)19(16)28(25,26)14-9-7-13(8-10-14)20(23)24/h3-10,16H,2,11H2,1H3