[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C21H23N3O8 MolecularWeight: 445.42262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O8/c1-29-18-11-16(17(24(27)28)12-19(18)30-2)21(26)32-13-20(25)22-14-3-5-15(6-4-14)23-7-9-31-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)