N-(2-methoxy-4-nitro-phenyl)-3-[3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-3-[3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: 3-[3-(2-methoxy-4-nitro-anilino)-3-oxo-propyl]sulfanyl-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: 3-[[3-(2-methoxy-4-nitroanilino)-3-oxopropyl]thio]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: 3-[3-(2-methoxy-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: 3-[[3-keto-3-(2-methoxy-4-nitro-anilino)propyl]thio]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSCCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSCCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O8S/c1-31-17-11-13(23(27)28)3-5-15(17)21-19(25)7-9-33-10-8-20(26)22-16-6-4-14(24(29)30)12-18(16)32-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,26)