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

Systemtic Name: [3-[(E)-[2-(4-nitropyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Openeye Name: [3-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazono]methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [3-[(E)-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [3-[(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=CC=C1C(=O)OC2=CC=CC(=C2)C=NNC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

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