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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[[4-oxidanylidene-4-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)butanoyl]amino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-[[4-oxo-4-[2-oxo-2-(2-thienyl)ethoxy]butanoyl]amino]benzoate CAS Name: 4-[[1,4-dioxo-4-(2-oxo-2-thiophen-2-ylethoxy)butyl]amino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[[4-oxo-4-(2-oxo-2-thiophen-2-ylethoxy)butanoyl]amino]benzoate Traditional Name: 4-[[4-keto-4-[2-keto-2-(2-thienyl)ethoxy]butanoyl]amino]benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H20N2O9S MolecularWeight: 524.4993

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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)CCC(=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)CCC(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C25H20N2O9S/c28-20(17-3-1-4-19(13-17)27(33)34)14-36-25(32)16-6-8-18(9-7-16)26-23(30)10-11-24(31)35-15-21(29)22-5-2-12-37-22/h1-9,12-13H,10-11,14-15H2,(H,26,30)