3-[2-nitro-6-[2-[(phenylmethyl)-propyl-amino]ethyl]phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-nitro-6-[2-[(phenylmethyl)-propyl-amino]ethyl]phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[2-[2-[benzyl(propyl)amino]ethyl]-6-nitro-phenyl]-2-oxo-propanoic acid CAS Name: 3-[2-nitro-6-[2-[(phenylmethyl)-propylamino]ethyl]phenyl]-2-oxopropanoic acid IUPAC Name: 3-[2-[2-[benzyl(propyl)amino]ethyl]-6-nitrophenyl]-2-oxopropanoic acid Traditional Name: 3-[2-[2-[benzyl(propyl)amino]ethyl]-6-nitro-phenyl]-2-keto-propionic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-2-12-22(15-16-7-4-3-5-8-16)13-11-17-9-6-10-19(23(27)28)18(17)14-20(24)21(25)26/h3-10H,2,11-15H2,1H3,(H,25,26)