[2-[5-(acetamidomethyl)furan-2-yl]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[5-(acetamidomethyl)furan-2-yl]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-[5-(acetamidomethyl)-2-furyl]-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[5-(acetamidomethyl)-2-furanyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-[5-(acetamidomethyl)-2-furyl]-2-keto-ethyl] ester Formula: C20H21N3O8 MolecularWeight: 431.39604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(O1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(=O)NCC1=CC=C(O1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H21N3O8/c1-13(24)21-11-15-3-5-19(31-15)18(25)12-30-20(26)16-10-14(23(27)28)2-4-17(16)22-6-8-29-9-7-22/h2-5,10H,6-9,11-12H2,1H3,(H,21,24)