2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]ethanoic acid Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]acetic acid CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]acetic acid IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]acetic acid Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]acetic acid Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C17H16N2O4/c20-17(21)10-14-9-15(19(22)23)5-6-16(14)18-8-7-12-3-1-2-4-13(12)11-18/h1-6,9H,7-8,10-11H2,(H,20,21)