N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide Formula: C19H16N4O7S MolecularWeight: 444.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O7S/c1-10-14(22(25)26)6-12(7-15(10)23(27)28)18(24)21-19-20-13(9-31-19)11-4-5-16(29-2)17(8-11)30-3/h4-9H,1-3H3,(H,20,21,24)