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

Systemtic Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[4-(4-butoxyphenyl)-2-thiazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-3,5-dinitro-benzamide Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6S/c1-2-3-8-30-17-6-4-13(5-7-17)18-12-31-20(21-18)22-19(25)14-9-15(23(26)27)11-16(10-14)24(28)29/h4-7,9-12H,2-3,8H2,1H3,(H,21,22,25)