2-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN4O4S/c22-16-9-13(26(29)30)7-8-18(16)24-19(27)11-31-20-10-15(21(28)23-12-5-6-12)14-3-1-2-4-17(14)25-20/h1-4,7-10,12H,5-6,11H2,(H,23,28)(H,24,27)