5-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 5-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-5-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 5-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 5-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-carbobenzoxy-5-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N2O6/c21-17(22)16-9-14-13(7-4-8-15(14)20(24)25)10-19(16)18(23)26-11-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,21,22)