O1-methyl O3-[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: 1-O-methyl 3-O-[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester O1-methyl ester Formula: C22H23N3O8 MolecularWeight: 457.43332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O8/c1-14(20(26)23-17-3-5-18(6-4-17)24-7-9-32-10-8-24)33-22(28)16-11-15(21(27)31-2)12-19(13-16)25(29)30/h3-6,11-14H,7-10H2,1-2H3,(H,23,26)