[2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(3,4-difluoroanilino)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(3,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluoroanilino)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(3,4-difluoroanilino)-2-keto-ethyl] ester Formula: C20H19F2N3O5 MolecularWeight: 419.378766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F2N3O5/c21-15-6-5-14(11-16(15)22)23-19(26)12-30-20(27)13-4-7-17(18(10-13)25(28)29)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H,23,26)