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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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