2-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[[3-[(4-tert-butylbenzoyl)amino]phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[[3-[(4-tert-butylbenzoyl)amino]phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[[3-[(4-tert-butylbenzoyl)amino]phenyl]iminomethyl]-6-nitro-phenolate Formula: C31H28N3O4- MolecularWeight: 506.57172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C31H29N3O4/c1-31(2,3)25-14-12-23(13-15-25)30(36)33-27-11-7-10-26(19-27)32-20-24-17-22(16-21-8-5-4-6-9-21)18-28(29(24)35)34(37)38/h4-15,17-20,35H,16H2,1-3H3,(H,33,36)/p-1