3-methyl-4-nitro-N-pentan-2-yl-benzamide

Systemtic Name: 3-methyl-4-nitro-N-pentan-2-yl-benzamide Openeye Name: 3-methyl-N-(1-methylbutyl)-4-nitro-benzamide CAS Name: 3-methyl-4-nitro-N-pentan-2-ylbenzamide IUPAC Name: 3-methyl-4-nitro-N-pentan-2-ylbenzamide Traditional Name: 3-methyl-N-(1-methylbutyl)-4-nitro-benzamide Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCC(C)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H18N2O3/c1-4-5-10(3)14-13(16)11-6-7-12(15(17)18)9(2)8-11/h6-8,10H,4-5H2,1-3H3,(H,14,16)