[2-oxidanylidene-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] ester Formula: C17H11BrN4O6 MolecularWeight: 447.19644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrN4O6/c18-12-7-6-11(8-13(12)22(25)26)16(24)27-9-14(23)19-17-21-20-15(28-17)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,21,23)