methyl (3R)-2-[2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(E)-3-(5-nitro-2-furyl)acryloyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O8/c1-28-20(25)16-10-13-4-2-3-5-14(13)11-21(16)17(23)12-29-19(24)9-7-15-6-8-18(30-15)22(26)27/h2-9,16H,10-12H2,1H3/b9-7+/t16-/m1/s1