(2-methyl-2-nitro-propyl) (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: (2-methyl-2-nitro-propyl) (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: (2-methyl-2-nitro-propyl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid (2-methyl-2-nitropropyl) ester IUPAC Name: (2-methyl-2-nitropropyl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid (2-methyl-2-nitro-propyl) ester Formula: C13H15NO6 MolecularWeight: 281.2613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C=CC1=CC(=C(C=C1)O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-13(2,14(18)19)8-20-12(17)6-4-9-3-5-10(15)11(16)7-9/h3-7,15-16H,8H2,1-2H3/b6-4+