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

Systemtic Name: methyl 2-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(1-oxidobenzofurazan-1-ium-5-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-]

InChI

InChI=1S/C17H15N3O5/c1-24-17(22)14(9-11-5-3-2-4-6-11)18-16(21)12-7-8-15-13(10-12)19-25-20(15)23/h2-8,10,14H,9H2,1H3,(H,18,21)