methyl 3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)-5-nitro-benzoate

Systemtic Name: methyl 3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)-5-nitro-benzoate Openeye Name: methyl 3-[2-(3-isoquinolyl)-1H-imidazol-5-yl]-5-nitro-benzoate CAS Name: 3-[2-(3-isoquinolinyl)-1H-imidazol-5-yl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)-5-nitrobenzoate Traditional Name: 3-[2-(3-isoquinolyl)-1H-imidazol-5-yl]-5-nitro-benzoic acid methyl ester Formula: C20H14N4O4 MolecularWeight: 374.34956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CN=C(N2)C3=CC4=CC=CC=C4C=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CN=C(N2)C3=CC4=CC=CC=C4C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4/c1-28-20(25)15-6-14(7-16(8-15)24(26)27)18-11-22-19(23-18)17-9-12-4-2-3-5-13(12)10-21-17/h2-11H,1H3,(H,22,23)