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

Systemtic Name: N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-ethoxyphenyl)thiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[4-(4-ethoxyphenyl)-2-thiazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-(4-p-phenetylthiazol-2-yl)benzamide Formula: C18H14N4O6S MolecularWeight: 414.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O6S/c1-2-28-15-5-3-11(4-6-15)16-10-29-18(19-16)20-17(23)12-7-13(21(24)25)9-14(8-12)22(26)27/h3-10H,2H2,1H3,(H,19,20,23)