butyl 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoate

Systemtic Name: butyl 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoate Openeye Name: butyl 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoate CAS Name: 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoate Traditional Name: 4-[(4-nitrobenzofurazan-5-yl)amino]benzoic acid butyl ester Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5/c1-2-3-10-25-17(22)11-4-6-12(7-5-11)18-14-9-8-13-15(20-26-19-13)16(14)21(23)24/h4-9,18H,2-3,10H2,1H3