4,5-dimethoxy-N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[4-methyl-3-(2-oxo-1-pyrrolidinyl)phenyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[3-(2-ketopyrrolidino)-4-methyl-phenyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)N3CCCC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)N3CCCC3=O

InChI

InChI=1S/C20H21N3O6/c1-12-6-7-13(9-15(12)22-8-4-5-19(22)24)21-20(25)14-10-17(28-2)18(29-3)11-16(14)23(26)27/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,25)