[2-[(E)-[2-(4-nitropyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-[(E)-[2-(4-nitropyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzoate Openeye Name: [2-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazono]methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(E)-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazono]methyl]phenyl] ester Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=NNC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=N/NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5/c1-14-6-8-15(9-7-14)20(27)30-18-5-3-2-4-16(18)10-21-23-19(26)13-24-12-17(11-22-24)25(28)29/h2-12H,13H2,1H3,(H,23,26)/b21-10+