(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S/c26-21(29-13-19-23-20(24-30-19)18-7-4-10-31-18)15-8-9-16(17(11-15)25(27)28)22-12-14-5-2-1-3-6-14/h1-11,22H,12-13H2