[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-nitrobenzoate

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-nitrobenzoate Openeye Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O5S/c19-13-3-7-16(8-4-13)25-10-17-20-14(11-27-17)9-26-18(22)12-1-5-15(6-2-12)21(23)24/h1-8,11H,9-10H2