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

Systemtic Name: N-[1-(2-methoxy-5-methyl-phenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-(2-methoxy-5-methyl-phenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-(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)C(C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-14-6-9-20(28-3)17(12-14)15(2)22-21(25)18-13-16(24(26)27)7-8-19(18)23-10-4-5-11-23/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,22,25)