N-(4-butylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-2-3-6-16-7-10-18(11-8-16)22-21(25)17-9-12-19(20(15-17)24(26)27)23-13-4-5-14-23/h7-12,15H,2-6,13-14H2,1H3,(H,22,25)