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

Systemtic Name: 2-[[3-[(4-fluorophenyl)carbonylamino]phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[[3-[(4-fluorobenzoyl)amino]phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[3-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[[3-[(4-fluorobenzoyl)amino]phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[[3-[(4-fluorobenzoyl)amino]phenyl]iminomethyl]-6-nitro-phenolate Formula: C27H19FN3O4- MolecularWeight: 468.455863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H20FN3O4/c28-22-11-9-20(10-12-22)27(33)30-24-8-4-7-23(16-24)29-17-21-14-19(13-18-5-2-1-3-6-18)15-25(26(21)32)31(34)35/h1-12,14-17,32H,13H2,(H,30,33)/p-1