(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5/c24-19(13-6-9-15(20-14-7-8-14)16(10-13)23(25)26)27-11-17-21-22-18(28-17)12-4-2-1-3-5-12/h1-6,9-10,14,20H,7-8,11H2