O1-ethyl O5-(2-methylpropylcarbamoylamino) 4-[[4-(4-methylphenyl)-3-nitro-phenyl]methyl]-2-oxidanyl-pentanedioate

Systemtic Name: O1-ethyl O5-(2-methylpropylcarbamoylamino) 4-[[4-(4-methylphenyl)-3-nitro-phenyl]methyl]-2-oxidanyl-pentanedioate Openeye Name: O1-ethyl O5-(isobutylcarbamoylamino) 2-hydroxy-4-[[3-nitro-4-(p-tolyl)phenyl]methyl]pentanedioate CAS Name: 2-hydroxy-4-[[4-(4-methylphenyl)-3-nitrophenyl]methyl]pentanedioic acid O1-ethyl ester O5-[[(2-methylpropylamino)-oxomethyl]amino] ester IUPAC Name: 1-O-ethyl 5-O-(2-methylpropylcarbamoylamino) 2-hydroxy-4-[[4-(4-methylphenyl)-3-nitrophenyl]methyl]pentanedioate Traditional Name: 2-hydroxy-4-[3-nitro-4-(p-tolyl)benzyl]glutaric acid O1-ethyl ester O5-(isobutylcarbamoylamino) ester Formula: C26H33N3O8 MolecularWeight: 515.55552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC1=CC(=C(C=C1)C2=CC=C(C=C2)C)[N+](=O)[O-])C(=O)ONC(=O)NCC(C)C)O

Isomeric SMILES

CCOC(=O)C(CC(CC1=CC(=C(C=C1)C2=CC=C(C=C2)C)[N+](=O)[O-])C(=O)ONC(=O)NCC(C)C)O

InChI

InChI=1S/C26H33N3O8/c1-5-36-25(32)23(30)14-20(24(31)37-28-26(33)27-15-16(2)3)12-18-8-11-21(22(13-18)29(34)35)19-9-6-17(4)7-10-19/h6-11,13,16,20,23,30H,5,12,14-15H2,1-4H3,(H2,27,28,33)