[(E)-(3-nitro-4-piperidin-1-yl-phenyl)methylideneamino] 3-(trifluoromethyl)benzoate

Systemtic Name: [(E)-(3-nitro-4-piperidin-1-yl-phenyl)methylideneamino] 3-(trifluoromethyl)benzoate Openeye Name: [(E)-[3-nitro-4-(1-piperidyl)phenyl]methyleneamino] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [(E)-[3-nitro-4-(1-piperidinyl)phenyl]methylideneamino] ester IUPAC Name: [(E)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [(E)-(3-nitro-4-piperidino-benzylidene)amino] ester Formula: C20H18F3N3O4 MolecularWeight: 421.36983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=NOC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=N/OC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3N3O4/c21-20(22,23)16-6-4-5-15(12-16)19(27)30-24-13-14-7-8-17(18(11-14)26(28)29)25-9-2-1-3-10-25/h4-8,11-13H,1-3,9-10H2/b24-13+