[5-(5-bromanylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [5-(5-bromanylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-phenylazanyl-benzoate Openeye Name: [5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methyl 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [5-(5-bromo-2-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H13BrN4O6 MolecularWeight: 485.24442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(O4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(O4)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H13BrN4O6/c21-17-9-8-16(30-17)19-24-23-18(31-19)11-29-20(26)12-6-7-14(15(10-12)25(27)28)22-13-4-2-1-3-5-13/h1-10,22H,11H2