(3-methanethioyl-5-nitro-phenyl)methyl 2-methylprop-2-enoate

Systemtic Name: (3-methanethioyl-5-nitro-phenyl)methyl 2-methylprop-2-enoate Openeye Name: (3-methanethioyl-5-nitro-phenyl)methyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid (3-methanethioyl-5-nitrophenyl)methyl ester IUPAC Name: (3-methanethioyl-5-nitrophenyl)methyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid (3-nitro-5-thioformyl-benzyl) ester Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4S/c1-8(2)12(14)17-6-9-3-10(7-18)5-11(4-9)13(15)16/h3-5,7H,1,6H2,2H3