[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6/c25-21(23-12-11-15-3-1-2-4-17(15)13-23)14-29-22(26)20-10-9-19(30-20)16-5-7-18(8-6-16)24(27)28/h1-10H,11-14H2