[3-[(octanoylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [3-[(octanoylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [3-[(octanoylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[(1-oxooctylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [3-[(octanoylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-[(caprylylhydrazono)methyl]phenyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN=CC1=CC(=CC=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)NN=CC1=CC(=CC=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-3-4-5-6-13-21(26)24-23-16-17-9-7-12-20(14-17)30-22(27)18-10-8-11-19(15-18)25(28)29/h7-12,14-16H,2-6,13H2,1H3,(H,24,26)