(phenylmethyl) 3-methyl-2-nitro-but-2-enoate

Systemtic Name: (phenylmethyl) 3-methyl-2-nitro-but-2-enoate Openeye Name: benzyl 3-methyl-2-nitro-but-2-enoate CAS Name: 3-methyl-2-nitro-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-nitrobut-2-enoate Traditional Name: 3-methyl-2-nitro-but-2-enoic acid benzyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)[N+](=O)[O-])C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=CC=C1)[N+](=O)[O-])C

InChI

InChI=1S/C12H13NO4/c1-9(2)11(13(15)16)12(14)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3