[(E)-3-methyl-4-nitro-1-oxidanyl-but-2-enyl] N-phenylcarbamate

Systemtic Name: [(E)-3-methyl-4-nitro-1-oxidanyl-but-2-enyl] N-phenylcarbamate Openeye Name: [(E)-1-hydroxy-3-methyl-4-nitro-but-2-enyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(E)-1-hydroxy-3-methyl-4-nitrobut-2-enyl] ester IUPAC Name: [(E)-1-hydroxy-3-methyl-4-nitrobut-2-enyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(E)-1-hydroxy-3-methyl-4-nitro-but-2-enyl] ester Formula: C12H14N2O5 MolecularWeight: 266.24996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(O)OC(=O)NC1=CC=CC=C1)C[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C(O)OC(=O)NC1=CC=CC=C1)/C[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5/c1-9(8-14(17)18)7-11(15)19-12(16)13-10-5-3-2-4-6-10/h2-7,11,15H,8H2,1H3,(H,13,16)/b9-7+