2-(1,3-benzothiazol-2-yl)-6-ethoxy-4-nitro-phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-6-ethoxy-4-nitro-phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-6-ethoxy-4-nitro-phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-6-ethoxy-4-nitrophenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-6-ethoxy-4-nitrophenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-6-ethoxy-4-nitro-phenolate Formula: C15H11N2O4S- MolecularWeight: 315.32384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C15H12N2O4S/c1-2-21-12-8-9(17(19)20)7-10(14(12)18)15-16-11-5-3-4-6-13(11)22-15/h3-8,18H,2H2,1H3/p-1