(4-nitrophenyl)methyl (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoate

Systemtic Name: (4-nitrophenyl)methyl (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoate Openeye Name: (4-nitrophenyl)methyl (2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetate CAS Name: (2E)-2-(2-amino-4-thiazolyl)-2-hydroxyiminoacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetic acid (4-nitrobenzyl) ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C(=NO)C2=CSC(=N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)/C(=N/O)/C2=CSC(=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5S/c13-12-14-9(6-22-12)10(15-18)11(17)21-5-7-1-3-8(4-2-7)16(19)20/h1-4,6,18H,5H2,(H2,13,14)/b15-10+