[[5-(2-diethylaminoethyloxy)-2-nitro-4-(trifluoromethyl)phenyl]amino]methylphosphonic acid

Systemtic Name: [[5-(2-diethylaminoethyloxy)-2-nitro-4-(trifluoromethyl)phenyl]amino]methylphosphonic acid Openeye Name: [5-(2-diethylaminoethyloxy)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid CAS Name: [5-(2-diethylaminoethyloxy)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid IUPAC Name: [5-(2-diethylaminoethyloxy)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid Traditional Name: [5-(2-diethylaminoethyloxy)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid Formula: C14H21F3N3O6P MolecularWeight: 415.302011

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCP(=O)(O)O

Isomeric SMILES

CCN(CC)CCOC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCP(=O)(O)O

InChI

InChI=1S/C14H21F3N3O6P/c1-3-19(4-2)5-6-26-13-8-11(18-9-27(23,24)25)12(20(21)22)7-10(13)14(15,16)17/h7-8,18H,3-6,9H2,1-2H3,(H2,23,24,25)