2-(3-fluoranylphenoxy)-3-[(3-nitrophenyl)methylamino]-3-sulfanylidene-propanoic acid

Systemtic Name: 2-(3-fluoranylphenoxy)-3-[(3-nitrophenyl)methylamino]-3-sulfanylidene-propanoic acid Openeye Name: 2-(3-fluorophenoxy)-3-[(3-nitrophenyl)methylamino]-3-thioxo-propanoic acid CAS Name: 2-(3-fluorophenoxy)-3-[(3-nitrophenyl)methylamino]-3-sulfanylidenepropanoic acid IUPAC Name: 2-(3-fluorophenoxy)-3-[(3-nitrophenyl)methylamino]-3-sulfanylidenepropanoic acid Traditional Name: 2-(3-fluorophenoxy)-3-[(3-nitrobenzyl)amino]-3-thioxo-propionic acid Formula: C16H13FN2O5S MolecularWeight: 364.348223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=S)C(C(=O)O)OC2=CC(=CC=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=S)C(C(=O)O)OC2=CC(=CC=C2)F

InChI

InChI=1S/C16H13FN2O5S/c17-11-4-2-6-13(8-11)24-14(16(20)21)15(25)18-9-10-3-1-5-12(7-10)19(22)23/h1-8,14H,9H2,(H,18,25)(H,20,21)