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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(4-nitrophenyl)acetate CAS Name: 2-(4-nitrophenyl)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(4-nitrophenyl)acetate Traditional Name: 2-(4-nitrophenyl)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c22-18(20-10-9-15-3-1-2-4-16(15)12-20)13-26-19(23)11-14-5-7-17(8-6-14)21(24)25/h1-8H,9-13H2