[(E)-(3-nitro-4-piperidin-1-yl-phenyl)methylideneamino] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [(E)-(3-nitro-4-piperidin-1-yl-phenyl)methylideneamino] 2,6-bis(fluoranyl)benzoate Openeye Name: [(E)-[3-nitro-4-(1-piperidyl)phenyl]methyleneamino] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [(E)-[3-nitro-4-(1-piperidinyl)phenyl]methylideneamino] ester IUPAC Name: [(E)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [(E)-(3-nitro-4-piperidino-benzylidene)amino] ester Formula: C19H17F2N3O4 MolecularWeight: 389.352786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=NOC(=O)C3=C(C=CC=C3F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=N/OC(=O)C3=C(C=CC=C3F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F2N3O4/c20-14-5-4-6-15(21)18(14)19(25)28-22-12-13-7-8-16(17(11-13)24(26)27)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2/b22-12+