ethyl 3-[3-(4-tert-butylphenyl)propanoylamino]-4-nitro-benzoate

Systemtic Name: ethyl 3-[3-(4-tert-butylphenyl)propanoylamino]-4-nitro-benzoate Openeye Name: ethyl 3-[3-(4-tert-butylphenyl)propanoylamino]-4-nitro-benzoate CAS Name: 3-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-tert-butylphenyl)propanoylamino]-4-nitrobenzoate Traditional Name: 3-[3-(4-tert-butylphenyl)propanoylamino]-4-nitro-benzoic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H26N2O5/c1-5-29-21(26)16-9-12-19(24(27)28)18(14-16)23-20(25)13-8-15-6-10-17(11-7-15)22(2,3)4/h6-7,9-12,14H,5,8,13H2,1-4H3,(H,23,25)