[isoquinolin-1-yl-(4-nitrophenyl)methyl] benzoate

Systemtic Name: [isoquinolin-1-yl-(4-nitrophenyl)methyl] benzoate Openeye Name: [1-isoquinolyl-(4-nitrophenyl)methyl] benzoate CAS Name: benzoic acid [1-isoquinolinyl-(4-nitrophenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl-(4-nitrophenyl)methyl] benzoate Traditional Name: benzoic acid [1-isoquinolyl-(4-nitrophenyl)methyl] ester Formula: C23H16N2O4 MolecularWeight: 384.38414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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