2-(7-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoic acid

Systemtic Name: 2-(7-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoic acid Openeye Name: 2-(2-benzyloxycarbonyl-7-nitro-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid CAS Name: 2-(7-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid IUPAC Name: 2-(7-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid Traditional Name: 2-(2-carbobenzoxy-7-nitro-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C=CC(=C2)[N+](=O)[O-])CC(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C2=C1C=CC(=C2)[N+](=O)[O-])CC(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O6/c22-18(23)11-17-16-10-15(21(25)26)7-6-14(16)8-9-20(17)19(24)27-12-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,22,23)