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

Systemtic Name: methyl 3-[[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(3-chloro-4-methoxyphenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H14ClN3O6S MolecularWeight: 447.84896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)Cl

InChI

InChI=1S/C19H14ClN3O6S/c1-28-16-4-3-10(8-14(16)20)15-9-30-19(21-15)22-17(24)11-5-12(18(25)29-2)7-13(6-11)23(26)27/h3-9H,1-2H3,(H,21,22,24)