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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])Br

InChI

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