2-[(4-nitrophenyl)methyl]-4-sulfanylidene-butanoate

Systemtic Name: 2-[(4-nitrophenyl)methyl]-4-sulfanylidene-butanoate Openeye Name: 2-[(4-nitrophenyl)methyl]-4-thioxo-butanoate CAS Name: 2-[(4-nitrophenyl)methyl]-4-sulfanylidenebutanoate IUPAC Name: 2-[(4-nitrophenyl)methyl]-4-sulfanylidenebutanoate Traditional Name: 2-(4-nitrobenzyl)-4-thioxo-butyrate Formula: C11H10NO4S- MolecularWeight: 252.2664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC=S)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(CC=S)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11NO4S/c13-11(14)9(5-6-17)7-8-1-3-10(4-2-8)12(15)16/h1-4,6,9H,5,7H2,(H,13,14)/p-1