4-phenylbutyl 2-[[3-nitro-5-[[2-oxidanylidene-2-(4-phenylbutoxy)ethanoyl]amino]phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: 4-phenylbutyl 2-[[3-nitro-5-[[2-oxidanylidene-2-(4-phenylbutoxy)ethanoyl]amino]phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: 4-phenylbutyl 2-[3-nitro-5-[[2-oxo-2-(4-phenylbutoxy)acetyl]amino]anilino]-2-oxo-acetate CAS Name: 2-[3-[[1,2-dioxo-2-(4-phenylbutoxy)ethyl]amino]-5-nitroanilino]-2-oxoacetic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 2-[3-nitro-5-[[2-oxo-2-(4-phenylbutoxy)acetyl]amino]anilino]-2-oxoacetate Traditional Name: 2-keto-2-[3-[[2-keto-2-(4-phenylbutoxy)acetyl]amino]-5-nitro-anilino]acetic acid 4-phenylbutyl ester Formula: C30H31N3O8 MolecularWeight: 561.58244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC(=O)C(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC(=O)C(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C30H31N3O8/c34-27(29(36)40-17-9-7-15-22-11-3-1-4-12-22)31-24-19-25(21-26(20-24)33(38)39)32-28(35)30(37)41-18-10-8-16-23-13-5-2-6-14-23/h1-6,11-14,19-21H,7-10,15-18H2,(H,31,34)(H,32,35)