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

Systemtic Name: 3-methyl-N-(4-methylpentyl)-4-nitro-benzamide Openeye Name: N-isohexyl-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-N-(4-methylpentyl)-4-nitrobenzamide IUPAC Name: 3-methyl-N-(4-methylpentyl)-4-nitrobenzamide Traditional Name: N-isohexyl-3-methyl-4-nitro-benzamide Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O3/c1-10(2)5-4-8-15-14(17)12-6-7-13(16(18)19)11(3)9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,17)