N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-5-nitro-2-pyrrolidino-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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