N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[5-[(4-chlorophenyl)methyl]-2-thiazolyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[5-(4-chlorobenzyl)thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C20H18ClN3O6S MolecularWeight: 463.89142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H18ClN3O6S/c1-28-15-9-14(16(24(26)27)18(30-3)17(15)29-2)19(25)23-20-22-10-13(31-20)8-11-4-6-12(21)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,22,23,25)