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

Systemtic Name: 2-methyl-N-(4-methylpentyl)-3-nitro-benzamide Openeye Name: N-isohexyl-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-N-(4-methylpentyl)-3-nitrobenzamide IUPAC Name: 2-methyl-N-(4-methylpentyl)-3-nitrobenzamide Traditional Name: N-isohexyl-2-methyl-3-nitro-benzamide Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-10(2)6-5-9-15-14(17)12-7-4-8-13(11(12)3)16(18)19/h4,7-8,10H,5-6,9H2,1-3H3,(H,15,17)