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

Systemtic Name: 4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)vinyl]-2-nitro-phenolate Formula: C16H11N2O4S- MolecularWeight: 327.33454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4S/c1-22-11-4-5-12-15(9-11)23-16(17-12)7-3-10-2-6-14(19)13(8-10)18(20)21/h2-9,19H,1H3/p-1/b7-3+