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

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C18H16N4O5 MolecularWeight: 368.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c1-12-20-21-17(27-12)11-26-18(23)14-7-8-15(16(9-14)22(24)25)19-10-13-5-3-2-4-6-13/h2-9,19H,10-11H2,1H3