2-[[1-[(4-nitrophenyl)methoxycarbamoyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]quinoline-3-carboxylic acid

Systemtic Name: 2-[[1-[(4-nitrophenyl)methoxycarbamoyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]quinoline-3-carboxylic acid Openeye Name: 2-[[1-[(4-nitrophenyl)methoxycarbamoyl]-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]quinoline-3-carboxylic acid CAS Name: 2-[[[4-(2-mercapto-2-oxoethyl)-1-[[(4-nitrophenyl)methoxyamino]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-quinolinecarboxylic acid IUPAC Name: 2-[[1-[(4-nitrophenyl)methoxycarbamoyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]amino]quinoline-3-carboxylic acid Traditional Name: 2-[[4-(2-keto-2-mercapto-ethyl)-1-[(4-nitrobenzyl)oxycarbamoyl]prolyl]amino]quinoline-3-carboxylic acid Formula: C25H23N5O8S MolecularWeight: 553.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=NC3=CC=CC=C3C=C2C(=O)O)C(=O)NOCC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)S

Isomeric SMILES

C1C(CN(C1C(=O)NC2=NC3=CC=CC=C3C=C2C(=O)O)C(=O)NOCC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)S

InChI

InChI=1S/C25H23N5O8S/c31-21(39)10-15-9-20(23(32)27-22-18(24(33)34)11-16-3-1-2-4-19(16)26-22)29(12-15)25(35)28-38-13-14-5-7-17(8-6-14)30(36)37/h1-8,11,15,20H,9-10,12-13H2,(H,28,35)(H,31,39)(H,33,34)(H,26,27,32)