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

Systemtic Name: methyl 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(4-bromophenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-bromophenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H12BrN3O5S MolecularWeight: 462.27398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H12BrN3O5S/c1-27-17(24)12-6-11(7-14(8-12)22(25)26)16(23)21-18-20-15(9-28-18)10-2-4-13(19)5-3-10/h2-9H,1H3,(H,20,21,23)