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

Systemtic Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H11N2O5S- MolecularWeight: 355.34464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H12N2O5S/c1-24-14-9-10(8-12(16(14)21)19(22)23)6-7-13(20)17-18-11-4-2-3-5-15(11)25-17/h2-9,21H,1H3/p-1/b7-6+