N-(4-nitrophenyl)-3-[3-[(4-nitrophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(4-nitrophenyl)-3-[3-[(4-nitrophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: 3-[3-(4-nitroanilino)-3-oxo-propyl]sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 3-[[3-(4-nitroanilino)-3-oxopropyl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[3-(4-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 3-[[3-keto-3-(4-nitroanilino)propyl]thio]-N-(4-nitrophenyl)propionamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S/c23-17(19-13-1-5-15(6-2-13)21(25)26)9-11-29-12-10-18(24)20-14-3-7-16(8-4-14)22(27)28/h1-8H,9-12H2,(H,19,23)(H,20,24)