4-bromanyl-N-methyl-3-nitro-N-pentan-2-yl-benzamide

Systemtic Name: 4-bromanyl-N-methyl-3-nitro-N-pentan-2-yl-benzamide Openeye Name: 4-bromo-N-methyl-N-(1-methylbutyl)-3-nitro-benzamide CAS Name: 4-bromo-N-methyl-3-nitro-N-pentan-2-ylbenzamide IUPAC Name: 4-bromo-N-methyl-3-nitro-N-pentan-2-ylbenzamide Traditional Name: 4-bromo-N-methyl-N-(1-methylbutyl)-3-nitro-benzamide Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C)C(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)N(C)C(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H17BrN2O3/c1-4-5-9(2)15(3)13(17)10-6-7-11(14)12(8-10)16(18)19/h6-9H,4-5H2,1-3H3