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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-2-methyl-3-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3

InChI

InChI=1S/C21H25N3O4/c1-15-18(9-6-10-19(15)24(26)27)21(25)22-14-20(23-11-3-4-12-23)16-7-5-8-17(13-16)28-2/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,22,25)