[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl] ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7/c1-22(2,3)16-7-9-18(10-8-16)31-12-11-20(27)32-14-19(26)23-24-21(28)15-5-4-6-17(13-15)25(29)30/h4-10,13H,11-12,14H2,1-3H3,(H,23,26)(H,24,28)