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

Systemtic Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C17H14N3O4S- MolecularWeight: 356.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N=CC3=CC(=CC(=C3[O-])OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N=CC3=CC(=CC(=C3[O-])OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O4S/c1-9-4-10(2)15-14(5-9)25-17(19-15)18-8-11-6-12(20(22)23)7-13(24-3)16(11)21/h4-8,21H,1-3H3/p-1