2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-(naphthalen-2-ylmethyl)-5-nitro-benzamide

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-(naphthalen-2-ylmethyl)-5-nitro-benzamide Openeye Name: 2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-N-(2-naphthylmethyl)-5-nitro-benzamide CAS Name: 2-(1,3-dihydroxypropan-2-ylamino)-N-(2-naphthalenylmethyl)-5-nitrobenzamide IUPAC Name: 2-(1,3-dihydroxypropan-2-ylamino)-N-(naphthalen-2-ylmethyl)-5-nitrobenzamide Traditional Name: 2-[(2-hydroxy-1-methylol-ethyl)amino]-N-(2-naphthylmethyl)-5-nitro-benzamide Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC(CO)CO

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC(CO)CO

InChI

InChI=1S/C21H21N3O5/c25-12-17(13-26)23-20-8-7-18(24(28)29)10-19(20)21(27)22-11-14-5-6-15-3-1-2-4-16(15)9-14/h1-10,17,23,25-26H,11-13H2,(H,22,27)