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

Systemtic Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetic acid IUPAC Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetic acid Traditional Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]acetic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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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)/b7-3+