4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-2,6-dinitro-phenol

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-2,6-dinitro-phenol Openeye Name: 4-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-2,6-dinitro-phenol CAS Name: 4-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-2,6-dinitrophenol IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-2,6-dinitrophenol Traditional Name: 4-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-2,6-dinitro-phenol Formula: C17H13N3O7S MolecularWeight: 403.36602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H13N3O7S/c1-26-14-4-3-9(7-15(14)27-2)17-18-11(8-28-17)10-5-12(19(22)23)16(21)13(6-10)20(24)25/h3-8,21H,1-2H3