[3-[(4-bromophenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [3-[(4-bromophenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [3-[(4-bromophenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(4-bromophenyl)iminomethyl]phenyl] ester IUPAC Name: [3-[(4-bromophenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-[(4-bromophenyl)iminomethyl]phenyl] ester Formula: C20H12BrN3O6 MolecularWeight: 470.22978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C=NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C=NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H12BrN3O6/c21-15-4-6-16(7-5-15)22-12-13-2-1-3-19(8-13)30-20(25)14-9-17(23(26)27)11-18(10-14)24(28)29/h1-12H