1-phenyloctyl N-(3,5-dinitrophenyl)carbamate

Systemtic Name: 1-phenyloctyl N-(3,5-dinitrophenyl)carbamate Openeye Name: 1-phenyloctyl N-(3,5-dinitrophenyl)carbamate CAS Name: N-(3,5-dinitrophenyl)carbamic acid 1-phenyloctyl ester IUPAC Name: 1-phenyloctyl N-(3,5-dinitrophenyl)carbamate Traditional Name: N-(3,5-dinitrophenyl)carbamic acid 1-phenyloctyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC=CC=C1)OC(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(C1=CC=CC=C1)OC(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-2-3-4-5-9-12-20(16-10-7-6-8-11-16)30-21(25)22-17-13-18(23(26)27)15-19(14-17)24(28)29/h6-8,10-11,13-15,20H,2-5,9,12H2,1H3,(H,22,25)