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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)N(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1OC)N(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-15(17-8-4-5-9-20(17)28-3)22(2)21(25)16-10-11-18(19(14-16)24(26)27)23-12-6-7-13-23/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3