4-chloranyl-N-(4-methylpentyl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(4-methylpentyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-isohexyl-3-nitro-benzamide CAS Name: 4-chloro-N-(4-methylpentyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(4-methylpentyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-isohexyl-3-nitro-benzamide Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCCNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H17ClN2O3/c1-9(2)4-3-7-15-13(17)10-5-6-11(14)12(8-10)16(18)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17)