2-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-nitro-phenolate Formula: C21H14N3O3S- MolecularWeight: 388.41916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H15N3O3S/c1-13-2-9-20-18(10-13)23-21(28-20)14-3-5-16(6-4-14)22-12-15-11-17(24(26)27)7-8-19(15)25/h2-12,25H,1H3/p-1