3-(4-fluorophenyl)-3-[(2-nitrophenyl)methylazaniumyl]propanoate

Systemtic Name: 3-(4-fluorophenyl)-3-[(2-nitrophenyl)methylazaniumyl]propanoate Openeye Name: 3-(4-fluorophenyl)-3-[(2-nitrophenyl)methylammonio]propanoate CAS Name: 3-(4-fluorophenyl)-3-[(2-nitrophenyl)methylammonio]propanoate IUPAC Name: 3-(4-fluorophenyl)-3-[(2-nitrophenyl)methylazaniumyl]propanoate Traditional Name: 3-(4-fluorophenyl)-3-[(2-nitrobenzyl)ammonio]propionate Formula: C16H15FN2O4 MolecularWeight: 318.299703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH2+]C(CC(=O)[O-])C2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C[NH2+]C(CC(=O)[O-])C2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15FN2O4/c17-13-7-5-11(6-8-13)14(9-16(20)21)18-10-12-3-1-2-4-15(12)19(22)23/h1-8,14,18H,9-10H2,(H,20,21)