[4-bromanyl-2-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate Openeye Name: [2-[(E)-(benzoylhydrazono)methyl]-4-bromo-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(E)-(benzoylhydrazinylidene)methyl]-4-bromophenyl] ester IUPAC Name: [2-[(E)-(benzoylhydrazinylidene)methyl]-4-bromophenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(E)-(benzoylhydrazono)methyl]-4-bromo-phenyl] ester Formula: C21H14BrN3O5 MolecularWeight: 468.25696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O5/c22-17-8-11-19(30-21(27)15-6-9-18(10-7-15)25(28)29)16(12-17)13-23-24-20(26)14-4-2-1-3-5-14/h1-13H,(H,24,26)/b23-13+