(3-methanoyl-5-nitro-2-sulfanyl-phenyl)methyl 2-methylprop-2-enoate

Systemtic Name: (3-methanoyl-5-nitro-2-sulfanyl-phenyl)methyl 2-methylprop-2-enoate Openeye Name: (3-formyl-5-nitro-2-sulfanyl-phenyl)methyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid (3-formyl-2-mercapto-5-nitrophenyl)methyl ester IUPAC Name: (3-formyl-5-nitro-2-sulfanylphenyl)methyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid (3-formyl-2-mercapto-5-nitro-benzyl) ester Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5S/c1-7(2)12(15)18-6-9-4-10(13(16)17)3-8(5-14)11(9)19/h3-5,19H,1,6H2,2H3