2-[1-(4-nitrophenyl)isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[1-(4-nitrophenyl)isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[1-(4-nitrophenyl)-5-isoquinolyl]acetic acid CAS Name: 2-[1-(4-nitrophenyl)-5-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(4-nitrophenyl)isoquinolin-5-yl]acetic acid Traditional Name: 2-[1-(4-nitrophenyl)-5-isoquinolyl]acetic acid Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C3=CC=C(C=C3)[N+](=O)[O-])C(=C1)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2C3=CC=C(C=C3)[N+](=O)[O-])C(=C1)CC(=O)O

InChI

InChI=1S/C17H12N2O4/c20-16(21)10-12-2-1-3-15-14(12)8-9-18-17(15)11-4-6-13(7-5-11)19(22)23/h1-9H,10H2,(H,20,21)