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

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C18H14ClN3O5S MolecularWeight: 419.83886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O5S/c19-12-2-4-14(5-3-12)26-9-17-21-13(10-28-17)8-27-18(23)11-1-6-15(20)16(7-11)22(24)25/h1-7,10H,8-9,20H2