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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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