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

Systemtic Name: [[5-(4-ethoxycarbonylphenoxy)-2-nitro-4-(trifluoromethyl)phenyl]amino]methylphosphonic acid Openeye Name: [5-(4-ethoxycarbonylphenoxy)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid CAS Name: [5-(4-ethoxycarbonylphenoxy)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid IUPAC Name: [5-(4-ethoxycarbonylphenoxy)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid Traditional Name: [5-(4-carbethoxyphenoxy)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid Formula: C17H16F3N2O8P MolecularWeight: 464.286511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2C(F)(F)F)[N+](=O)[O-])NCP(=O)(O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2C(F)(F)F)[N+](=O)[O-])NCP(=O)(O)O

InChI

InChI=1S/C17H16F3N2O8P/c1-2-29-16(23)10-3-5-11(6-4-10)30-15-8-13(21-9-31(26,27)28)14(22(24)25)7-12(15)17(18,19)20/h3-8,21H,2,9H2,1H3,(H2,26,27,28)