(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic 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-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c22-16(6-3-8-18-13-4-1-2-5-14(13)21(23)24)25-10-15-19-17(20-26-15)12-7-9-27-11-12/h1-2,4-5,7,9,11,18H,3,6,8,10H2