2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethanoate

Systemtic Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetate IUPAC Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetate Formula: C18H13N2O6S- MolecularWeight: 385.37062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC(=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c1-25-15-8-11(2-6-14(15)26-10-18(21)22)3-7-17-19-13-5-4-12(20(23)24)9-16(13)27-17/h2-9H,10H2,1H3,(H,21,22)/p-1/b7-3+