(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C14H10N4O5S MolecularWeight: 346.318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC2=NC(=NO2)C3=CSC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2=NC(=NO2)C3=CSC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C14H10N4O5S/c15-10-2-1-8(5-11(10)18(20)21)14(19)22-6-12-16-13(17-23-12)9-3-4-24-7-9/h1-5,7H,6,15H2