(2S)-2-[(4-fluoranyl-3-nitro-phenyl)carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(4-fluoranyl-3-nitro-phenyl)carbamoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(4-fluoro-3-nitro-phenyl)carbamoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(4-fluoro-3-nitroanilino)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(4-fluoro-3-nitrophenyl)carbamoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(4-fluoro-3-nitro-phenyl)carbamoylamino]-3-phenyl-propionic acid Formula: C16H14FN3O5 MolecularWeight: 347.297863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14FN3O5/c17-12-7-6-11(9-14(12)20(24)25)18-16(23)19-13(15(21)22)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H,21,22)(H2,18,19,23)/t13-/m0/s1