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

Systemtic Name: 4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)vinyl]-2-nitro-phenolate Formula: C16H11N2O3S- MolecularWeight: 311.33514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O3S/c1-10-2-6-15-12(8-10)17-16(22-15)7-4-11-3-5-14(19)13(9-11)18(20)21/h2-9,19H,1H3/p-1/b7-4+