1-phenylbutan-2-yl N-(3,5-dinitrophenyl)carbamate

Systemtic Name: 1-phenylbutan-2-yl N-(3,5-dinitrophenyl)carbamate Openeye Name: 1-benzylpropyl N-(3,5-dinitrophenyl)carbamate CAS Name: N-(3,5-dinitrophenyl)carbamic acid 1-phenylbutan-2-yl ester IUPAC Name: 1-phenylbutan-2-yl N-(3,5-dinitrophenyl)carbamate Traditional Name: N-(3,5-dinitrophenyl)carbamic acid 1-benzylpropyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)OC(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CC=C1)OC(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-2-16(8-12-6-4-3-5-7-12)26-17(21)18-13-9-14(19(22)23)11-15(10-13)20(24)25/h3-7,9-11,16H,2,8H2,1H3,(H,18,21)