4-[[5-chloranyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[5-chloro-3-[(3-nitrophenyl)methylcarbamoyl]-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[5-chloro-3-[[(3-nitrophenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[5-chloro-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-chloro-3-[(3-nitrobenzyl)carbamoyl]-2-thienyl]carbamoyl]benzoic acid Formula: C20H14ClN3O6S MolecularWeight: 459.85966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H14ClN3O6S/c21-16-9-15(18(26)22-10-11-2-1-3-14(8-11)24(29)30)19(31-16)23-17(25)12-4-6-13(7-5-12)20(27)28/h1-9H,10H2,(H,22,26)(H,23,25)(H,27,28)