[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C18H12Cl2N2O5S MolecularWeight: 439.26928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1OCC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C18H12Cl2N2O5S/c19-11-1-4-14(5-2-11)26-9-17-21-12(10-28-17)8-27-18(23)15-7-13(22(24)25)3-6-16(15)20/h1-7,10H,8-9H2