3-bromanyl-N-(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)benzamide

Systemtic Name: 3-bromanyl-N-(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)benzamide Openeye Name: 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)benzamide CAS Name: 3-bromo-N-[2-methyl-4-nitro-5-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide Traditional Name: 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidino-phenyl)benzamide Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3/c1-12-9-17(22(24)25)16(21-7-2-3-8-21)11-15(12)20-18(23)13-5-4-6-14(19)10-13/h4-6,9-11H,2-3,7-8H2,1H3,(H,20,23)