N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C22H29N3O6/c1-6-24(7-2)14-16-11-9-8-10-15(16)13-23-22(26)17-12-18(29-3)20(30-4)21(31-5)19(17)25(27)28/h8-12H,6-7,13-14H2,1-5H3,(H,23,26)