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

Systemtic Name: ethyl 3-[2-nitro-6-[2-[(phenylmethyl)-propyl-amino]ethyl]phenyl]-2-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-[2-[benzyl(propyl)amino]ethyl]-6-nitro-phenyl]-2-oxo-propanoate CAS Name: 3-[2-nitro-6-[2-[(phenylmethyl)-propylamino]ethyl]phenyl]-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-[benzyl(propyl)amino]ethyl]-6-nitrophenyl]-2-oxopropanoate Traditional Name: 3-[2-[2-[benzyl(propyl)amino]ethyl]-6-nitro-phenyl]-2-keto-propionic acid ethyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-3-14-24(17-18-9-6-5-7-10-18)15-13-19-11-8-12-21(25(28)29)20(19)16-22(26)23(27)30-4-2/h5-12H,3-4,13-17H2,1-2H3