methyl (3R)-2-[2-(2-methanoyl-4-nitro-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(2-methanoyl-4-nitro-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-formyl-4-nitro-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2-formyl-4-nitrophenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-formyl-4-nitrophenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-formyl-4-nitro-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C20H18N2O7/c1-28-20(25)17-9-13-4-2-3-5-14(13)10-21(17)19(24)12-29-18-7-6-16(22(26)27)8-15(18)11-23/h2-8,11,17H,9-10,12H2,1H3/t17-/m1/s1