tert-butyl 3-[(3,4-dinitrophenyl)carbonyl-(2-ethylphenyl)amino]propanoate

Systemtic Name: tert-butyl 3-[(3,4-dinitrophenyl)carbonyl-(2-ethylphenyl)amino]propanoate Openeye Name: tert-butyl 3-(N-(3,4-dinitrobenzoyl)-2-ethyl-anilino)propanoate CAS Name: 3-(N-[(3,4-dinitrophenyl)-oxomethyl]-2-ethylanilino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(N-(3,4-dinitrobenzoyl)-2-ethylanilino)propanoate Traditional Name: 3-(N-(3,4-dinitrobenzoyl)-2-ethyl-anilino)propionic acid tert-butyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CCC(=O)OC(C)(C)C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N(CCC(=O)OC(C)(C)C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7/c1-5-15-8-6-7-9-17(15)23(13-12-20(26)32-22(2,3)4)21(27)16-10-11-18(24(28)29)19(14-16)25(30)31/h6-11,14H,5,12-13H2,1-4H3