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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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