N-[5-(cyanomethylamino)-2-methyl-5-oxidanylidene-pentyl]-3-nitro-benzamide

Systemtic Name: N-[5-(cyanomethylamino)-2-methyl-5-oxidanylidene-pentyl]-3-nitro-benzamide Openeye Name: N-[5-(cyanomethylamino)-2-methyl-5-oxo-pentyl]-3-nitro-benzamide CAS Name: N-[5-(cyanomethylamino)-2-methyl-5-oxopentyl]-3-nitrobenzamide IUPAC Name: N-[5-(cyanomethylamino)-2-methyl-5-oxopentyl]-3-nitrobenzamide Traditional Name: N-[5-(cyanomethylamino)-5-keto-2-methyl-pentyl]-3-nitro-benzamide Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NCC#N)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CCC(=O)NCC#N)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4/c1-11(5-6-14(20)17-8-7-16)10-18-15(21)12-3-2-4-13(9-12)19(22)23/h2-4,9,11H,5-6,8,10H2,1H3,(H,17,20)(H,18,21)