[2-ethoxy-4-[(E)-[(2-oxidanyl-2-phenyl-ethanoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-ethoxy-4-[(E)-[(2-oxidanyl-2-phenyl-ethanoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate Openeye Name: [2-ethoxy-4-[(E)-[(2-hydroxy-2-phenyl-acetyl)hydrazono]methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-ethoxy-4-[(E)-[(2-hydroxy-1-oxo-2-phenylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-ethoxy-4-[(E)-(mandeloylhydrazono)methyl]phenyl] ester Formula: C24H21N3O7 MolecularWeight: 463.43944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C(C2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O7/c1-2-33-21-14-16(15-25-26-23(29)22(28)17-6-4-3-5-7-17)8-13-20(21)34-24(30)18-9-11-19(12-10-18)27(31)32/h3-15,22,28H,2H2,1H3,(H,26,29)/b25-15+