methyl 2-(3-nitro-4-sulfanyl-phenyl)ethanoate

Systemtic Name: methyl 2-(3-nitro-4-sulfanyl-phenyl)ethanoate Openeye Name: methyl 2-(3-nitro-4-sulfanyl-phenyl)acetate CAS Name: 2-(4-mercapto-3-nitrophenyl)acetic acid methyl ester IUPAC Name: methyl 2-(3-nitro-4-sulfanylphenyl)acetate Traditional Name: 2-(4-mercapto-3-nitro-phenyl)acetic acid methyl ester Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4S/c1-14-9(11)5-6-2-3-8(15)7(4-6)10(12)13/h2-4,15H,5H2,1H3