[isoquinolin-1-yl(phenyl)methyl] 3,5-dinitrobenzoate

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] 3,5-dinitrobenzoate Openeye Name: [1-isoquinolyl(phenyl)methyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C23H15N3O6 MolecularWeight: 429.3817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O6/c27-23(17-12-18(25(28)29)14-19(13-17)26(30)31)32-22(16-7-2-1-3-8-16)21-20-9-5-4-6-15(20)10-11-24-21/h1-14,22H