[5-(4-cyanobutoxy)-2-[3-(diethylamino)-1,2-oxazol-5-yl]phenyl] 4-nitrobenzoate

Systemtic Name: [5-(4-cyanobutoxy)-2-[3-(diethylamino)-1,2-oxazol-5-yl]phenyl] 4-nitrobenzoate Openeye Name: [5-(4-cyanobutoxy)-2-[3-(diethylamino)isoxazol-5-yl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(4-cyanobutoxy)-2-[3-(diethylamino)-5-isoxazolyl]phenyl] ester IUPAC Name: [5-(4-cyanobutoxy)-2-[3-(diethylamino)-1,2-oxazol-5-yl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(4-cyanobutoxy)-2-[3-(diethylamino)isoxazol-5-yl]phenyl] ester Formula: C25H26N4O6 MolecularWeight: 478.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OCCCCC#N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OCCCCC#N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O6/c1-3-28(4-2)24-17-23(35-27-24)21-13-12-20(33-15-7-5-6-14-26)16-22(21)34-25(30)18-8-10-19(11-9-18)29(31)32/h8-13,16-17H,3-7,15H2,1-2H3