[2-oxidanylidene-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-keto-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] ester Formula: C23H23N5O6 MolecularWeight: 465.45862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O6/c29-20(24-23-26-25-21(34-23)16-8-4-3-5-9-16)15-33-22(30)17-10-11-18(19(14-17)28(31)32)27-12-6-1-2-7-13-27/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,24,26,29)