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

Systemtic Name: 4-methyl-N-(3-methylbutyl)-3-nitro-benzamide Openeye Name: N-isopentyl-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-N-(3-methylbutyl)-3-nitrobenzamide IUPAC Name: 4-methyl-N-(3-methylbutyl)-3-nitrobenzamide Traditional Name: N-isoamyl-4-methyl-3-nitro-benzamide Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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