2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(2-morpholino-1,3-benzothiazol-6-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(2-morpholino-1,3-benzothiazol-6-yl)iminomethyl]-4-nitro-phenolate Formula: C18H15N4O4S- MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16N4O4S/c23-16-4-2-14(22(24)25)9-12(16)11-19-13-1-3-15-17(10-13)27-18(20-15)21-5-7-26-8-6-21/h1-4,9-11,23H,5-8H2/p-1