4-(4-bromophenyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-[(2-hydroxy-5-nitro-benzoyl)amino]thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-[(2-hydroxy-5-nitrobenzoyl)amino]thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-[(2-hydroxy-5-nitro-benzoyl)amino]-3-thenoic acid Formula: C18H11BrN2O6S MolecularWeight: 463.25874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=C2C(=O)O)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=C2C(=O)O)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)Br

InChI

InChI=1S/C18H11BrN2O6S/c19-10-3-1-9(2-4-10)13-8-28-17(15(13)18(24)25)20-16(23)12-7-11(21(26)27)5-6-14(12)22/h1-8,22H,(H,20,23)(H,24,25)