[4-bromanyl-2-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-[(E)-(benzoylhydrazono)methyl]-4-bromo-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[(E)-(benzoylhydrazinylidene)methyl]-4-bromophenyl] ester IUPAC Name: [2-[(E)-(benzoylhydrazinylidene)methyl]-4-bromophenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[(E)-(benzoylhydrazono)methyl]-4-bromo-phenyl] ester Formula: C21H13BrN4O7 MolecularWeight: 513.25452

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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(=CC(=C3)[N+](=O)[O-])[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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13BrN4O7/c22-16-6-7-19(15(8-16)12-23-24-20(27)13-4-2-1-3-5-13)33-21(28)14-9-17(25(29)30)11-18(10-14)26(31)32/h1-12H,(H,24,27)/b23-12+