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

Systemtic Name: O1-methyl O3-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(4-morpholinoanilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(4-morpholinoanilino)ethyl] ester O1-methyl ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8/c1-30-20(26)14-10-15(12-18(11-14)24(28)29)21(27)32-13-19(25)22-16-2-4-17(5-3-16)23-6-8-31-9-7-23/h2-5,10-12H,6-9,13H2,1H3,(H,22,25)