N-[2-[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxy-5-nitro-phenyl]-N,4,4-trimethyl-5-oxidanylidene-2-phenyl-pyrazolidine-1-carboxamide

Systemtic Name: N-[2-[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxy-5-nitro-phenyl]-N,4,4-trimethyl-5-oxidanylidene-2-phenyl-pyrazolidine-1-carboxamide Openeye Name: N-[2-[[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-hydroxy-1-naphthyl]oxy]-5-nitro-phenyl]-N,4,4-trimethyl-5-oxo-2-phenyl-pyrazolidine-1-carboxamide CAS Name: N-[2-[[3-[(2-dodecoxy-5-methylanilino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]-5-nitrophenyl]-N,4,4-trimethyl-5-oxo-2-phenyl-1-pyrazolidinecarboxamide IUPAC Name: N-[2-[3-[(2-dodecoxy-5-methylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]oxy-5-nitrophenyl]-N,4,4-trimethyl-5-oxo-2-phenylpyrazolidine-1-carboxamide Traditional Name: N-[2-[4-hydroxy-3-[(2-lauryloxy-5-methyl-phenyl)carbamoyl]-1-naphthoxy]-5-nitro-phenyl]-5-keto-N,4,4-trimethyl-2-phenyl-pyrazolidine-1-carboxamide Formula: C49H57N5O8 MolecularWeight: 844.00558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C=C(C=C4)[N+](=O)[O-])N(C)C(=O)N5C(=O)C(CN5C6=CC=CC=C6)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C=C(C=C4)[N+](=O)[O-])N(C)C(=O)N5C(=O)C(CN5C6=CC=CC=C6)(C)C)O

InChI

InChI=1S/C49H57N5O8/c1-6-7-8-9-10-11-12-13-14-20-29-61-42-27-25-34(2)30-40(42)50-46(56)39-32-44(37-23-18-19-24-38(37)45(39)55)62-43-28-26-36(54(59)60)31-41(43)51(5)48(58)53-47(57)49(3,4)33-52(53)35-21-16-15-17-22-35/h15-19,21-28,30-32,55H,6-14,20,29,33H2,1-5H3,(H,50,56)