1-[5-[(6-acetamidohexanoylamino)methyl]-2-nitro-phenyl]ethyl N-methylcarbamate

Systemtic Name: 1-[5-[(6-acetamidohexanoylamino)methyl]-2-nitro-phenyl]ethyl N-methylcarbamate Openeye Name: 1-[5-[(6-acetamidohexanoylamino)methyl]-2-nitro-phenyl]ethyl N-methylcarbamate CAS Name: N-methylcarbamic acid 1-[5-[[(6-acetamido-1-oxohexyl)amino]methyl]-2-nitrophenyl]ethyl ester IUPAC Name: 1-[5-[(6-acetamidohexanoylamino)methyl]-2-nitrophenyl]ethyl N-methylcarbamate Traditional Name: N-methylcarbamic acid 1-[5-[(6-acetamidohexanoylamino)methyl]-2-nitro-phenyl]ethyl ester Formula: C19H28N4O6 MolecularWeight: 408.44882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)CNC(=O)CCCCCNC(=O)C)[N+](=O)[O-])OC(=O)NC

Isomeric SMILES

CC(C1=C(C=CC(=C1)CNC(=O)CCCCCNC(=O)C)[N+](=O)[O-])OC(=O)NC

InChI

InChI=1S/C19H28N4O6/c1-13(29-19(26)20-3)16-11-15(8-9-17(16)23(27)28)12-22-18(25)7-5-4-6-10-21-14(2)24/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,20,26)(H,21,24)(H,22,25)