2-[2-nitro-6-[2-[(phenylmethyl)-propyl-amino]ethyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-nitro-6-[2-[(phenylmethyl)-propyl-amino]ethyl]phenyl]ethanoic acid Openeye Name: 2-[2-[2-[benzyl(propyl)amino]ethyl]-6-nitro-phenyl]acetic acid CAS Name: 2-[2-nitro-6-[2-[(phenylmethyl)-propylamino]ethyl]phenyl]acetic acid IUPAC Name: 2-[2-[2-[benzyl(propyl)amino]ethyl]-6-nitrophenyl]acetic acid Traditional Name: 2-[2-[2-[benzyl(propyl)amino]ethyl]-6-nitro-phenyl]acetic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCN(CCC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O4/c1-2-12-21(15-16-7-4-3-5-8-16)13-11-17-9-6-10-19(22(25)26)18(17)14-20(23)24/h3-10H,2,11-15H2,1H3,(H,23,24)