2-chloranyl-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C13H13ClN4O4S MolecularWeight: 356.78472

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN4O4S/c1-2-22-6-5-11-16-17-13(23-11)15-12(19)9-4-3-8(18(20)21)7-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,17,19)