[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3-methoxy-4-(2-morpholino-2-oxo-ethoxy)benzoate CAS Name: 3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate Traditional Name: 4-(2-keto-2-morpholino-ethoxy)-3-methoxy-benzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C22H22ClN3O9 MolecularWeight: 507.87778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OCC(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OCC(=O)N3CCOCC3

InChI

InChI=1S/C22H22ClN3O9/c1-32-19-10-14(2-5-18(19)34-13-21(28)25-6-8-33-9-7-25)22(29)35-12-20(27)24-15-3-4-16(23)17(11-15)26(30)31/h2-5,10-11H,6-9,12-13H2,1H3,(H,24,27)