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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-4-methyl-3-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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