5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitro-benzoic acid

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitro-benzoic acid Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitro-benzoic acid CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitrobenzoic acid IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitrobenzoic acid Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitro-benzoic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4/c19-16(20)14-9-13(5-6-15(14)18(21)22)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10H2,(H,19,20)