(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6S/c22-18(6-5-17-20-15-3-1-2-4-16(15)28-17)26-10-13-8-14(21(23)24)7-12-9-25-11-27-19(12)13/h1-4,7-8H,5-6,9-11H2