ethyl 2-[(3-bromanyl-2-oxidanyl-phenyl)carbonylamino]-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-bromanyl-2-oxidanyl-phenyl)carbonylamino]-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-bromo-2-hydroxy-benzoyl)amino]-4-(4-nitrophenyl)thiazole-5-carboxylate CAS Name: 2-[[(3-bromo-2-hydroxyphenyl)-oxomethyl]amino]-4-(4-nitrophenyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromo-2-hydroxybenzoyl)amino]-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-bromo-2-hydroxy-benzoyl)amino]-4-(4-nitrophenyl)thiazole-5-carboxylic acid ethyl ester Formula: C19H14BrN3O6S MolecularWeight: 492.29996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=C(C(=CC=C2)Br)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=C(C(=CC=C2)Br)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14BrN3O6S/c1-2-29-18(26)16-14(10-6-8-11(9-7-10)23(27)28)21-19(30-16)22-17(25)12-4-3-5-13(20)15(12)24/h3-9,24H,2H2,1H3,(H,21,22,25)