methyl 4-[[(Z)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(Z)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]oxymethyl]benzoate Openeye Name: methyl 4-[[(Z)-(4-morpholino-3-nitro-phenyl)methyleneamino]oxymethyl]benzoate CAS Name: 4-[[(Z)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzoate Traditional Name: 4-[[(Z)-(4-morpholino-3-nitro-benzylidene)amino]oxymethyl]benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CON=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CO/N=C\C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-27-20(24)17-5-2-15(3-6-17)14-29-21-13-16-4-7-18(19(12-16)23(25)26)22-8-10-28-11-9-22/h2-7,12-13H,8-11,14H2,1H3/b21-13-