N-(4-iodanyl-3,5-dimethyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-iodanyl-3,5-dimethyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-iodo-3,5-dimethyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4-iodo-3,5-dimethylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-iodo-3,5-dimethylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-iodo-3,5-dimethyl-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H20IN3O3 MolecularWeight: 465.28487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1I)C)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1I)C)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20IN3O3/c1-12-9-15(10-13(2)18(12)20)21-19(24)14-5-6-16(17(11-14)23(25)26)22-7-3-4-8-22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,21,24)