[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenyl)carbonylamino]benzoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenyl)carbonylamino]benzoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 4-[(4-tert-butylbenzoyl)amino]benzoate CAS Name: 4-[[(4-tert-butylphenyl)-oxomethyl]amino]benzoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-[(4-tert-butylbenzoyl)amino]benzoate Traditional Name: 4-[(4-tert-butylbenzoyl)amino]benzoic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C26H23ClN2O6 MolecularWeight: 494.92362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H23ClN2O6/c1-26(2,3)19-9-4-16(5-10-19)24(31)28-20-11-6-17(7-12-20)25(32)35-15-23(30)18-8-13-21(27)22(14-18)29(33)34/h4-14H,15H2,1-3H3,(H,28,31)