[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[[5-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)pentanoyl]amino]benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[[5-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)pentanoyl]amino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-[[5-oxo-5-[2-oxo-2-(2-thienyl)ethoxy]pentanoyl]amino]benzoate CAS Name: 4-[[1,5-dioxo-5-(2-oxo-2-thiophen-2-ylethoxy)pentyl]amino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[[5-oxo-5-(2-oxo-2-thiophen-2-ylethoxy)pentanoyl]amino]benzoate Traditional Name: 4-[[5-keto-5-[2-keto-2-(2-thienyl)ethoxy]pentanoyl]amino]benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C26H22N2O9S MolecularWeight: 538.52588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C26H22N2O9S/c29-21(18-4-1-5-20(14-18)28(34)35)15-37-26(33)17-9-11-19(12-10-17)27-24(31)7-2-8-25(32)36-16-22(30)23-6-3-13-38-23/h1,3-6,9-14H,2,7-8,15-16H2,(H,27,31)