N-(2-butan-2-ylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-butan-2-ylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-(2-sec-butylphenyl)benzamide CAS Name: N-(2-butan-2-ylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-butan-2-ylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-4-pyrrolidino-N-(2-sec-butylphenyl)benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-3-15(2)17-8-4-5-9-18(17)22-21(25)16-10-11-19(20(14-16)24(26)27)23-12-6-7-13-23/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,22,25)