N-(4-fluoranyl-3-nitro-phenyl)-3-[3-[(4-fluoranyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-3-[3-[(4-fluoranyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: 3-[3-(4-fluoro-3-nitro-anilino)-3-oxo-propyl]sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-[[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-[[3-(4-fluoro-3-nitro-anilino)-3-keto-propyl]thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C18H16F2N4O6S MolecularWeight: 454.404646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCSCCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCSCCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C18H16F2N4O6S/c19-13-3-1-11(9-15(13)23(27)28)21-17(25)5-7-31-8-6-18(26)22-12-2-4-14(20)16(10-12)24(29)30/h1-4,9-10H,5-8H2,(H,21,25)(H,22,26)