3-[5-butyl-2-[butyl-(4-nitrophenyl)carbonyl-amino]phenyl]propanoic acid

Systemtic Name: 3-[5-butyl-2-[butyl-(4-nitrophenyl)carbonyl-amino]phenyl]propanoic acid Openeye Name: 3-[5-butyl-2-[butyl-(4-nitrobenzoyl)amino]phenyl]propanoic acid CAS Name: 3-[5-butyl-2-[butyl-[(4-nitrophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[5-butyl-2-[butyl-(4-nitrobenzoyl)amino]phenyl]propanoic acid Traditional Name: 3-[5-butyl-2-[butyl-(4-nitrobenzoyl)amino]phenyl]propionic acid Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)N(CCCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)N(CCCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C24H30N2O5/c1-3-5-7-18-8-14-22(20(17-18)11-15-23(27)28)25(16-6-4-2)24(29)19-9-12-21(13-10-19)26(30)31/h8-10,12-14,17H,3-7,11,15-16H2,1-2H3,(H,27,28)