3-methyl-N-(3-methylbutyl)-2-nitro-benzamide

Systemtic Name: 3-methyl-N-(3-methylbutyl)-2-nitro-benzamide Openeye Name: N-isopentyl-3-methyl-2-nitro-benzamide CAS Name: 3-methyl-N-(3-methylbutyl)-2-nitrobenzamide IUPAC Name: 3-methyl-N-(3-methylbutyl)-2-nitrobenzamide Traditional Name: N-isoamyl-3-methyl-2-nitro-benzamide Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-9(2)7-8-14-13(16)11-6-4-5-10(3)12(11)15(17)18/h4-6,9H,7-8H2,1-3H3,(H,14,16)