[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C22H26N4O7 MolecularWeight: 458.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C22H26N4O7/c1-15(21(28)24-16-2-4-17(5-3-16)25-9-12-32-13-10-25)33-22(29)19-14-18(26(30)31)6-7-20(19)23-8-11-27/h2-7,14-15,23,27H,8-13H2,1H3,(H,24,28)