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

Systemtic Name: [2-ethoxy-4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxidanylidene-ethanehydrazonoyl]phenyl] 4-nitrobenzoate Openeye Name: [2-ethoxy-4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxo-ethanehydrazonoyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-ethoxy-4-[(1E)-1-hydrazinylidene-2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethanehydrazonoyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-ethoxy-4-[2-keto-2-(5-methyl-1H-pyrazol-3-yl)acetohydrazonoyl]phenyl] ester Formula: C21H19N5O6 MolecularWeight: 437.40546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O6/c1-3-31-18-11-14(19(23-22)20(27)16-10-12(2)24-25-16)6-9-17(18)32-21(28)13-4-7-15(8-5-13)26(29)30/h4-11H,3,22H2,1-2H3,(H,24,25)/b23-19+