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

Systemtic Name: N-(4-methylpentyl)-4-nitro-benzamide Openeye Name: N-isohexyl-4-nitro-benzamide CAS Name: N-(4-methylpentyl)-4-nitrobenzamide IUPAC Name: N-(4-methylpentyl)-4-nitrobenzamide Traditional Name: N-isohexyl-4-nitro-benzamide Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-10(2)4-3-9-14-13(16)11-5-7-12(8-6-11)15(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,14,16)