methyl 4-[[5-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: methyl 4-[[5-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: methyl 4-[[5-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethoxy]-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-1,5-dioxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[5-keto-5-[2-keto-2-(4-methyl-3-nitro-phenyl)ethoxy]pentanoyl]amino]benzoic acid methyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O8/c1-14-6-7-16(12-18(14)24(29)30)19(25)13-32-21(27)5-3-4-20(26)23-17-10-8-15(9-11-17)22(28)31-2/h6-12H,3-5,13H2,1-2H3,(H,23,26)