2-[(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-oxidobenzofurazan-3-ium-5-carbonyl)amino]-3-phenyl-propionic acid Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC3=[N+](ON=C3C=C2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC3=[N+](ON=C3C=C2)[O-]

InChI

InChI=1S/C16H13N3O5/c20-15(11-6-7-12-14(9-11)19(23)24-18-12)17-13(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H,17,20)(H,21,22)