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

Systemtic Name: N-methyl-2-(4-methylphenyl)-N-[5-nitro-2-[4-oxidanyl-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]oxy-phenyl]-5-oxidanylidene-pyrazolidine-1-carboxamide Openeye Name: N-[2-[[4-hydroxy-3-[(2-tetradecoxyphenyl)carbamoyl]-1-naphthyl]oxy]-5-nitro-phenyl]-N-methyl-5-oxo-2-(p-tolyl)pyrazolidine-1-carboxamide CAS Name: N-[2-[[4-hydroxy-3-[oxo-(2-tetradecoxyanilino)methyl]-1-naphthalenyl]oxy]-5-nitrophenyl]-N-methyl-2-(4-methylphenyl)-5-oxo-1-pyrazolidinecarboxamide IUPAC Name: N-[2-[4-hydroxy-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]oxy-5-nitrophenyl]-N-methyl-2-(4-methylphenyl)-5-oxopyrazolidine-1-carboxamide Traditional Name: N-[2-[4-hydroxy-3-[(2-myristyloxyphenyl)carbamoyl]-1-naphthoxy]-5-nitro-phenyl]-5-keto-N-methyl-2-(p-tolyl)pyrazolidine-1-carboxamide Formula: C49H57N5O8 MolecularWeight: 844.00558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C=C(C=C4)[N+](=O)[O-])N(C)C(=O)N5C(=O)CCN5C6=CC=C(C=C6)C)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C=C(C=C4)[N+](=O)[O-])N(C)C(=O)N5C(=O)CCN5C6=CC=C(C=C6)C)O

InChI

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