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

Systemtic Name: N-(4-methylpentyl)-3-nitro-benzamide Openeye Name: N-isohexyl-3-nitro-benzamide CAS Name: N-(4-methylpentyl)-3-nitrobenzamide IUPAC Name: N-(4-methylpentyl)-3-nitrobenzamide Traditional Name: N-isohexyl-3-nitro-benzamide Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-10(2)5-4-8-14-13(16)11-6-3-7-12(9-11)15(17)18/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,14,16)