3-[3-(4-tert-butylphenyl)propanoylamino]-4-(1-nitroethyl)benzoate

Systemtic Name: 3-[3-(4-tert-butylphenyl)propanoylamino]-4-(1-nitroethyl)benzoate Openeye Name: 3-[3-(4-tert-butylphenyl)propanoylamino]-4-(1-nitroethyl)benzoate CAS Name: 3-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoate IUPAC Name: 3-[3-(4-tert-butylphenyl)propanoylamino]-4-(1-nitroethyl)benzoate Traditional Name: 3-[3-(4-tert-butylphenyl)propanoylamino]-4-(1-nitroethyl)benzoate Formula: C22H25N2O5- MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-14(24(28)29)18-11-8-16(21(26)27)13-19(18)23-20(25)12-7-15-5-9-17(10-6-15)22(2,3)4/h5-6,8-11,13-14H,7,12H2,1-4H3,(H,23,25)(H,26,27)/p-1