N-(4-bromanyl-2,6-dimethyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H20BrN3O3 MolecularWeight: 418.2844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)Br

InChI

InChI=1S/C19H20BrN3O3/c1-12-9-15(20)10-13(2)18(12)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)