2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-keto-2-(4-nitroanilino)ethyl]thio]cinchoninamide Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C18H14N4O4S/c19-18(24)14-9-17(21-15-4-2-1-3-13(14)15)27-10-16(23)20-11-5-7-12(8-6-11)22(25)26/h1-9H,10H2,(H2,19,24)(H,20,23)