[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[[(1R)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-12-7-8-15(9-16(12)22(25)26)20(24)27-11-19(23)21-13(2)18-10-14-5-3-4-6-17(14)28-18/h3-10,13H,11H2,1-2H3,(H,21,23)/t13-/m1/s1