N-(2,4-dinitrophenyl)-3-[3-[(2,4-dinitrophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(2,4-dinitrophenyl)-3-[3-[(2,4-dinitrophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: 3-[3-(2,4-dinitroanilino)-3-oxo-propyl]sulfanyl-N-(2,4-dinitrophenyl)propanamide CAS Name: 3-[[3-(2,4-dinitroanilino)-3-oxopropyl]thio]-N-(2,4-dinitrophenyl)propanamide IUPAC Name: 3-[3-(2,4-dinitroanilino)-3-oxopropyl]sulfanyl-N-(2,4-dinitrophenyl)propanamide Traditional Name: 3-[[3-(2,4-dinitroanilino)-3-keto-propyl]thio]-N-(2,4-dinitrophenyl)propionamide Formula: C18H16N6O10S MolecularWeight: 508.41884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O10S/c25-17(19-13-3-1-11(21(27)28)9-15(13)23(31)32)5-7-35-8-6-18(26)20-14-4-2-12(22(29)30)10-16(14)24(33)34/h1-4,9-10H,5-8H2,(H,19,25)(H,20,26)