N-methyl-N-[2-(3-methylpyrrolidin-1-yl)-1-phenyl-ethyl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide

Systemtic Name: N-methyl-N-[2-(3-methylpyrrolidin-1-yl)-1-phenyl-ethyl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)-N-methyl-N-[2-(3-methylpyrrolidin-1-yl)-1-phenyl-ethyl]acetamide CAS Name: 2-(4-hydroxy-3-nitrophenyl)-N-methyl-N-[2-(3-methyl-1-pyrrolidinyl)-1-phenylethyl]acetamide IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)-N-methyl-N-[2-(3-methylpyrrolidin-1-yl)-1-phenylethyl]acetamide Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)-N-methyl-N-[2-(3-methylpyrrolidino)-1-phenyl-ethyl]acetamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)CC(C2=CC=CC=C2)N(C)C(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C1)CC(C2=CC=CC=C2)N(C)C(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-16-10-11-24(14-16)15-20(18-6-4-3-5-7-18)23(2)22(27)13-17-8-9-21(26)19(12-17)25(28)29/h3-9,12,16,20,26H,10-11,13-15H2,1-2H3