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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-nitro-phenolate CAS Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-nitrophenolate Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)ethyliminomethyl]-4-nitro-phenolate Formula: C16H12N3O3S- MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c20-14-6-5-12(19(21)22)9-11(14)10-17-8-7-16-18-13-3-1-2-4-15(13)23-16/h1-6,9-10,20H,7-8H2/p-1