2-methoxy-4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)vinyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)vinyl]-6-nitro-phenolate Formula: C17H13N2O4S- MolecularWeight: 341.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)/C=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c1-10-3-5-15-12(7-10)18-16(24-15)6-4-11-8-13(19(21)22)17(20)14(9-11)23-2/h3-9,20H,1-2H3/p-1/b6-4+