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

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O8/c1-14(21(26)23-15-4-6-16(7-5-15)24-8-10-32-11-9-24)33-22(27)17-12-19(30-2)20(31-3)13-18(17)25(28)29/h4-7,12-14H,8-11H2,1-3H3,(H,23,26)