(E)-3-(1,3-benzothiazol-2-yl)-4-(6-nitro-1,3-benzodioxol-5-yl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-nitro-1,3-benzodioxol-5-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-nitro-1,3-benzodioxol-5-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-nitro-1,3-benzodioxol-5-yl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-nitro-1,3-benzodioxol-5-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-nitro-1,3-benzodioxol-5-yl)but-3-enoate Formula: C18H11N2O6S- MolecularWeight: 383.35474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O6S/c21-17(22)7-11(18-19-12-3-1-2-4-16(12)27-18)5-10-6-14-15(26-9-25-14)8-13(10)20(23)24/h1-6,8H,7,9H2,(H,21,22)/p-1/b11-5+