[4-[(E)-[(3-bromophenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-[(3-bromophenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-[(3-bromobenzoyl)hydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-[[(3-bromophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-[(3-bromobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H14BrN3O5 MolecularWeight: 468.25696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)Br

InChI

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