methyl 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)-phenyl-amino]propanoate

Systemtic Name: methyl 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)-phenyl-amino]propanoate Openeye Name: methyl 3-(N-(4-nitro-2,1,3-benzoxadiazol-7-yl)anilino)propanoate CAS Name: 3-(N-(4-nitro-2,1,3-benzoxadiazol-7-yl)anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(4-nitro-2,1,3-benzoxadiazol-7-yl)anilino)propanoate Traditional Name: 3-(N-(7-nitrobenzofurazan-4-yl)anilino)propionic acid methyl ester Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5/c1-24-14(21)9-10-19(11-5-3-2-4-6-11)12-7-8-13(20(22)23)16-15(12)17-25-18-16/h2-8H,9-10H2,1H3