[2-oxidanyl-3-[(phenylmethyl)-propyl-amino]propyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanyl-3-[(phenylmethyl)-propyl-amino]propyl] 4-nitrobenzoate Openeye Name: [3-[benzyl(propyl)amino]-2-hydroxy-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-hydroxy-3-[(phenylmethyl)-propylamino]propyl] ester IUPAC Name: [3-[benzyl(propyl)amino]-2-hydroxypropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-[benzyl(propyl)amino]-2-hydroxy-propyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5/c1-2-12-21(13-16-6-4-3-5-7-16)14-19(23)15-27-20(24)17-8-10-18(11-9-17)22(25)26/h3-11,19,23H,2,12-15H2,1H3