[2-ethoxy-4-[(E)-[(5-methyl-1H-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-ethoxy-4-[(E)-[(5-methyl-1H-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate Openeye Name: [2-ethoxy-4-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-ethoxy-4-[(E)-[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-ethoxy-4-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] ester Formula: C21H19N5O6 MolecularWeight: 437.40546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O6/c1-3-31-19-11-14(12-22-25-20(27)17-10-13(2)23-24-17)4-9-18(19)32-21(28)15-5-7-16(8-6-15)26(29)30/h4-12H,3H2,1-2H3,(H,23,24)(H,25,27)/b22-12+