[3-[(E)-[2-(3-methylphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [3-[(E)-[2-(3-methylphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate Openeye Name: [3-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazono]methyl]phenyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [3-[(E)-[[2-(3-methylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [3-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C21H17N3O7 MolecularWeight: 423.37558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7/c1-14-4-2-6-16(10-14)29-13-19(25)23-22-12-15-5-3-7-17(11-15)30-21(26)18-8-9-20(31-18)24(27)28/h2-12H,13H2,1H3,(H,23,25)/b22-12+