2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-chloro-6-nitro-phenolate Formula: C16H11ClN3O3S- MolecularWeight: 360.79484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O3S/c17-11-7-10(16(21)13(8-11)20(22)23)9-18-6-5-15-19-12-3-1-2-4-14(12)24-15/h1-4,7-9,21H,5-6H2/p-1