[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-[[(1S)-1-(2-furanyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-[[(1S)-1-(2-furyl)ethyl]amino]-2-keto-ethyl] ester Formula: C17H18N2O7 MolecularWeight: 362.33402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@@H](C)C2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7/c1-3-24-15-7-6-12(9-13(15)19(22)23)17(21)26-10-16(20)18-11(2)14-5-4-8-25-14/h4-9,11H,3,10H2,1-2H3,(H,18,20)/t11-/m0/s1