3-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]-5-phenyl-2-thenoic acid Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H20N4O5S/c27-21(28)20-18(14-19(32-20)15-4-2-1-3-5-15)23-22(29)25-12-10-24(11-13-25)16-6-8-17(9-7-16)26(30)31/h1-9,14H,10-13H2,(H,23,29)(H,27,28)