[2-bromanyl-6-[(E)-[2-(3-methylphenoxy)ethanoylhydrazinylidene]methyl]-4-nitro-phenyl] furan-2-carboxylate

Systemtic Name: [2-bromanyl-6-[(E)-[2-(3-methylphenoxy)ethanoylhydrazinylidene]methyl]-4-nitro-phenyl] furan-2-carboxylate Openeye Name: [2-bromo-6-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazono]methyl]-4-nitro-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-bromo-6-[(E)-[[2-(3-methylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-4-nitrophenyl] ester IUPAC Name: [2-bromo-6-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-bromo-6-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazono]methyl]-4-nitro-phenyl] ester Formula: C21H16BrN3O7 MolecularWeight: 502.27164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC(=CC(=C2OC(=O)C3=CC=CO3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N/N=C/C2=CC(=CC(=C2OC(=O)C3=CC=CO3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN3O7/c1-13-4-2-5-16(8-13)31-12-19(26)24-23-11-14-9-15(25(28)29)10-17(22)20(14)32-21(27)18-6-3-7-30-18/h2-11H,12H2,1H3,(H,24,26)/b23-11+