N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]amino]ethyl]-3-nitro-benzamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C22H26N4O5/c1-31-20-10-3-2-9-18(20)19(25-11-4-5-12-25)14-23-21(27)15-24-22(28)16-7-6-8-17(13-16)26(29)30/h2-3,6-10,13,19H,4-5,11-12,14-15H2,1H3,(H,23,27)(H,24,28)