[isoquinolin-1-yl-(3-nitrophenyl)methyl] benzoate

Systemtic Name: [isoquinolin-1-yl-(3-nitrophenyl)methyl] benzoate Openeye Name: [1-isoquinolyl-(3-nitrophenyl)methyl] benzoate CAS Name: benzoic acid [1-isoquinolinyl-(3-nitrophenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl-(3-nitrophenyl)methyl] benzoate Traditional Name: benzoic acid [1-isoquinolyl-(3-nitrophenyl)methyl] ester Formula: C23H16N2O4 MolecularWeight: 384.38414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C23H16N2O4/c26-23(17-8-2-1-3-9-17)29-22(18-10-6-11-19(15-18)25(27)28)21-20-12-5-4-7-16(20)13-14-24-21/h1-15,22H