2-[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-2-nitro-ethanoic acid

Systemtic Name: 2-[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-2-nitro-ethanoic acid Openeye Name: 2-[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-2-nitro-acetic acid CAS Name: 2-[4-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]sulfonyl-2-nitroacetic acid IUPAC Name: 2-[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-2-nitroacetic acid Traditional Name: 2-(4-methacrylamidophenyl)sulfonyl-2-nitro-acetic acid Formula: C12H12N2O7S MolecularWeight: 328.29788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7S/c1-7(2)10(15)13-8-3-5-9(6-4-8)22(20,21)11(12(16)17)14(18)19/h3-6,11H,1H2,2H3,(H,13,15)(H,16,17)