4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C16H9N2O4S- MolecularWeight: 325.31866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)C=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)/C=C/C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O4S/c19-13-7-5-10(9-12(13)18(21)22)6-8-14(20)16-17-11-3-1-2-4-15(11)23-16/h1-9,19H/p-1/b8-6+