(4-nitrophenyl)methyl 1-methanoyl-2-oxidanylidene-4-sulfanyl-azetidine-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-methanoyl-2-oxidanylidene-4-sulfanyl-azetidine-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-formyl-2-oxo-4-sulfanyl-azetidine-3-carboxylate CAS Name: 1-formyl-2-mercapto-4-oxo-3-azetidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-formyl-2-oxo-4-sulfanylazetidine-3-carboxylate Traditional Name: 1-formyl-2-keto-4-mercapto-azetidine-3-carboxylic acid (4-nitrobenzyl) ester Formula: C12H10N2O6S MolecularWeight: 310.2826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2C(N(C2=O)C=O)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2C(N(C2=O)C=O)S)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O6S/c15-6-13-10(16)9(11(13)21)12(17)20-5-7-1-3-8(4-2-7)14(18)19/h1-4,6,9,11,21H,5H2