N-nitro-5-octyl-2-oxidanyl-N-phenyl-benzamide

Systemtic Name: N-nitro-5-octyl-2-oxidanyl-N-phenyl-benzamide Openeye Name: 2-hydroxy-N-nitro-5-octyl-N-phenyl-benzamide CAS Name: 2-hydroxy-N-nitro-5-octyl-N-phenylbenzamide IUPAC Name: 2-hydroxy-N-nitro-5-octyl-N-phenylbenzamide Traditional Name: 2-hydroxy-N-nitro-5-octyl-N-phenyl-benzamide Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)O)C(=O)N(C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)O)C(=O)N(C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O4/c1-2-3-4-5-6-8-11-17-14-15-20(24)19(16-17)21(25)22(23(26)27)18-12-9-7-10-13-18/h7,9-10,12-16,24H,2-6,8,11H2,1H3