[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(3,5-ditert-butylphenyl)carbonylamino]benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(3,5-ditert-butylphenyl)carbonylamino]benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-[(3,5-ditert-butylbenzoyl)amino]benzoate CAS Name: 4-[[(3,5-ditert-butylphenyl)-oxomethyl]amino]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-[(3,5-ditert-butylbenzoyl)amino]benzoate Traditional Name: 4-[(3,5-ditert-butylbenzoyl)amino]benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C30H32N2O6 MolecularWeight: 516.58488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O6/c1-29(2,3)22-15-21(16-23(17-22)30(4,5)6)27(34)31-24-11-7-20(8-12-24)28(35)38-18-26(33)19-9-13-25(14-10-19)32(36)37/h7-17H,18H2,1-6H3,(H,31,34)