(2S)-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-nitrobenzofurazan-5-yl)amino]-3-phenyl-propionate Formula: C15H11N4O5- MolecularWeight: 327.27164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC2=C(C3=NON=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC2=C(C3=NON=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O5/c20-15(21)12(8-9-4-2-1-3-5-9)16-11-7-6-10-13(18-24-17-10)14(11)19(22)23/h1-7,12,16H,8H2,(H,20,21)/p-1/t12-/m0/s1