[(1S)-1-(3-nitrophenyl)ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C21H20N2O5/c1-14(17-7-5-8-18(12-17)23(26)27)28-21(25)13-20-19-9-4-3-6-16(19)10-11-22(20)15(2)24/h3-12,14,20H,13H2,1-2H3/t14-,20+/m0/s1