N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3OC

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O4/c1-24(2)20(17-8-4-5-9-21(17)30-3)15-23-22(27)16-10-11-18(19(14-16)26(28)29)25-12-6-7-13-25/h4-5,8-11,14,20H,6-7,12-13,15H2,1-3H3,(H,23,27)