(3S)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-3-phenyl-propanoate

Systemtic Name: (3S)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-3-phenyl-propanoate Openeye Name: (3S)-3-[2-nitro-4-(trifluoromethyl)anilino]-3-phenyl-propanoate CAS Name: (3S)-3-[2-nitro-4-(trifluoromethyl)anilino]-3-phenylpropanoate IUPAC Name: (3S)-3-[2-nitro-4-(trifluoromethyl)anilino]-3-phenylpropanoate Traditional Name: (3S)-3-[2-nitro-4-(trifluoromethyl)anilino]-3-phenyl-propionate Formula: C16H12F3N2O4- MolecularWeight: 353.27269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O4/c17-16(18,19)11-6-7-12(14(8-11)21(24)25)20-13(9-15(22)23)10-4-2-1-3-5-10/h1-8,13,20H,9H2,(H,22,23)/p-1/t13-/m0/s1