(4-nitrophenyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate hydrate

Systemtic Name: (4-nitrophenyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate hydrate Openeye Name: (4-nitrophenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate hydrate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)acetic acid (4-nitrophenyl) ester hydrate IUPAC Name: (4-nitrophenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate hydrate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)acetic acid (4-nitrophenyl) ester hydrate Formula: C15H12N2O6S MolecularWeight: 348.33058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-].O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-].O

InChI

InChI=1S/C15H10N2O5S.H2O/c18-14(22-11-7-5-10(6-8-11)17(20)21)9-16-12-3-1-2-4-13(12)23-15(16)19;/h1-8H,9H2;1H2