N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCC2C3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCC2C3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-14-6-7-15(11-19(14)25(28)29)22(27)23-13-21(26)24-10-4-5-18(24)17-12-16(30-2)8-9-20(17)31-3/h6-9,11-12,18H,4-5,10,13H2,1-3H3,(H,23,27)