2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-4-nitro-benzoic acid

Systemtic Name: 2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-4-nitro-benzoic acid Openeye Name: 2-[2-(4-isobutylphenyl)propanoylamino]-4-nitro-benzoic acid CAS Name: 2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]-4-nitrobenzoic acid IUPAC Name: 2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-4-nitrobenzoic acid Traditional Name: 2-[2-(4-isobutylphenyl)propanoylamino]-4-nitro-benzoic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H22N2O5/c1-12(2)10-14-4-6-15(7-5-14)13(3)19(23)21-18-11-16(22(26)27)8-9-17(18)20(24)25/h4-9,11-13H,10H2,1-3H3,(H,21,23)(H,24,25)