[isoquinolin-1-yl-(4-methoxyphenyl)methyl] 3-nitrobenzoate

Systemtic Name: [isoquinolin-1-yl-(4-methoxyphenyl)methyl] 3-nitrobenzoate Openeye Name: [1-isoquinolyl-(4-methoxyphenyl)methyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-isoquinolinyl-(4-methoxyphenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl-(4-methoxyphenyl)methyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-isoquinolyl-(4-methoxyphenyl)methyl] ester Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O5/c1-30-20-11-9-17(10-12-20)23(22-21-8-3-2-5-16(21)13-14-25-22)31-24(27)18-6-4-7-19(15-18)26(28)29/h2-15,23H,1H3