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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(3,5-ditert-butylphenyl)carbonylamino]benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-[(3,5-ditert-butylbenzoyl)amino]benzoate CAS Name: 4-[[(3,5-ditert-butylphenyl)-oxomethyl]amino]benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-[(3,5-ditert-butylbenzoyl)amino]benzoate Traditional Name: 4-[(3,5-ditert-butylbenzoyl)amino]benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C31H34N2O6/c1-19-8-9-21(16-26(19)33(37)38)27(34)18-39-29(36)20-10-12-25(13-11-20)32-28(35)22-14-23(30(2,3)4)17-24(15-22)31(5,6)7/h8-17H,18H2,1-7H3,(H,32,35)