[4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(E)-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H14BrN3O5 MolecularWeight: 468.25696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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