4-nitro-N-[2-oxidanyl-3-[(phenylmethyl)-propan-2-yl-amino]propyl]benzamide hydrochloride

Systemtic Name: 4-nitro-N-[2-oxidanyl-3-[(phenylmethyl)-propan-2-yl-amino]propyl]benzamide hydrochloride Openeye Name: N-[3-[benzyl(isopropyl)amino]-2-hydroxy-propyl]-4-nitro-benzamide hydrochloride CAS Name: N-[2-hydroxy-3-[(phenylmethyl)-propan-2-ylamino]propyl]-4-nitrobenzamide hydrochloride IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropyl]-4-nitrobenzamide hydrochloride Traditional Name: N-[3-[benzyl(isopropyl)amino]-2-hydroxy-propyl]-4-nitro-benzamide hydrochloride Formula: C20H26ClN3O4 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O.Cl

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C20H25N3O4.ClH/c1-15(2)22(13-16-6-4-3-5-7-16)14-19(24)12-21-20(25)17-8-10-18(11-9-17)23(26)27;/h3-11,15,19,24H,12-14H2,1-2H3,(H,21,25);1H