(E)-4-(1,3-benzothiazol-2-yl)-5-(6-nitro-1,3-benzodioxol-5-yl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-nitro-1,3-benzodioxol-5-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-nitro-1,3-benzodioxol-5-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-nitro-1,3-benzodioxol-5-yl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-nitro-1,3-benzodioxol-5-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-nitro-1,3-benzodioxol-5-yl)pent-4-enoic acid Formula: C19H14N2O6S MolecularWeight: 398.38926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O6S/c22-18(23)6-5-11(19-20-13-3-1-2-4-17(13)28-19)7-12-8-15-16(27-10-26-15)9-14(12)21(24)25/h1-4,7-9H,5-6,10H2,(H,22,23)/b11-7+