5-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-4-nitro-thiophene-2-carboxylic acid

Systemtic Name: 5-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-4-nitro-thiophene-2-carboxylic acid Openeye Name: 5-[2-acetamido-4-(diethylamino)phenyl]azo-4-nitro-thiophene-2-carboxylic acid CAS Name: 5-[2-acetamido-4-(diethylamino)phenyl]azo-4-nitro-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-4-nitrothiophene-2-carboxylic acid Traditional Name: 5-[2-acetamido-4-(diethylamino)phenyl]azo-4-nitro-2-thenoic acid Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(S2)C(=O)O)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(S2)C(=O)O)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C17H19N5O5S/c1-4-21(5-2)11-6-7-12(13(8-11)18-10(3)23)19-20-16-14(22(26)27)9-15(28-16)17(24)25/h6-9H,4-5H2,1-3H3,(H,18,23)(H,24,25)