4-[(4-fluorophenyl)methylamino]-3-nitro-benzoate

Systemtic Name: 4-[(4-fluorophenyl)methylamino]-3-nitro-benzoate Openeye Name: 4-[(4-fluorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(4-fluorophenyl)methylamino]-3-nitrobenzoate IUPAC Name: 4-[(4-fluorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(4-fluorobenzyl)amino]-3-nitro-benzoate Formula: C14H10FN2O4- MolecularWeight: 289.238603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C14H11FN2O4/c15-11-4-1-9(2-5-11)8-16-12-6-3-10(14(18)19)7-13(12)17(20)21/h1-7,16H,8H2,(H,18,19)/p-1