N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(chloromethyl)thiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(chloromethyl)-2-thiazolyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(chloromethyl)thiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C12H10ClN3O4S MolecularWeight: 327.7435

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CCl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CCl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O4S/c1-20-10-3-2-7(4-9(10)16(18)19)11(17)15-12-14-8(5-13)6-21-12/h2-4,6H,5H2,1H3,(H,14,15,17)