2-(1,3-benzothiazol-2-yl)-6-nitro-3-oxidanylidene-inden-1-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-3-oxidanylidene-inden-1-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-3-oxo-inden-1-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-3-oxo-1-indenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-3-oxoinden-1-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-6-nitro-inden-1-olate Formula: C16H7N2O4S- MolecularWeight: 323.30278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(C3=O)C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(C3=O)C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H8N2O4S/c19-14-9-6-5-8(18(21)22)7-10(9)15(20)13(14)16-17-11-3-1-2-4-12(11)23-16/h1-7,20H/p-1