[3-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [3-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [3-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] ester IUPAC Name: [3-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] ester Formula: C27H16N4O7 MolecularWeight: 508.43854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC=C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC=C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H16N4O7/c32-27(19-12-21(30(33)34)15-22(13-19)31(35)36)37-23-8-4-5-17(11-23)16-28-20-9-10-25-24(14-20)29-26(38-25)18-6-2-1-3-7-18/h1-16H