[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino] 3-(trifluoromethyl)benzoate

Systemtic Name: [(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino] 3-(trifluoromethyl)benzoate Openeye Name: [(E)-(4-morpholino-3-nitro-phenyl)methyleneamino] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [(E)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino] ester IUPAC Name: [(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [(E)-(4-morpholino-3-nitro-benzylidene)amino] ester Formula: C19H16F3N3O5 MolecularWeight: 423.34265

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=NOC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=N/OC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N3O5/c20-19(21,22)15-3-1-2-14(11-15)18(26)30-23-12-13-4-5-16(17(10-13)25(27)28)24-6-8-29-9-7-24/h1-5,10-12H,6-9H2/b23-12+