5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-nitro-phenolate

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-nitro-phenolate Openeye Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-nitro-phenolate CAS Name: 5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-nitrophenolate IUPAC Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-nitrophenolate Traditional Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-nitro-phenolate Formula: C16H13N2O4- MolecularWeight: 297.28542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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