(phenylmethyl) N-(4-nitro-3-oxidanyl-1-phenyl-butan-2-yl)carbamate

Systemtic Name: (phenylmethyl) N-(4-nitro-3-oxidanyl-1-phenyl-butan-2-yl)carbamate Openeye Name: benzyl N-(1-benzyl-2-hydroxy-3-nitro-propyl)carbamate CAS Name: N-(3-hydroxy-4-nitro-1-phenylbutan-2-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(3-hydroxy-4-nitro-1-phenylbutan-2-yl)carbamate Traditional Name: N-(1-benzyl-2-hydroxy-3-nitro-propyl)carbamic acid benzyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C[N+](=O)[O-])O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C[N+](=O)[O-])O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O5/c21-17(12-20(23)24)16(11-14-7-3-1-4-8-14)19-18(22)25-13-15-9-5-2-6-10-15/h1-10,16-17,21H,11-13H2,(H,19,22)