[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)[C@H](C)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H16N4O5/c1-10-4-3-5-12(8-10)17-21-20-16(27-17)11(2)26-18(23)14-9-13(22(24)25)6-7-15(14)19/h3-9,11H,19H2,1-2H3/t11-/m0/s1