N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-29-16-8-9-19(30-2)17(12-16)18-7-4-10-23(18)20(25)13-22-21(26)14-5-3-6-15(11-14)24(27)28/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3,(H,22,26)