[4-[(E)-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenyl] 3-chloranylbenzoate

Systemtic Name: [4-[(E)-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenyl] 3-chloranylbenzoate Openeye Name: [4-[(E)-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]hydrazono]methyl]phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-[(E)-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[(E)-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]hydrazono]methyl]phenyl] ester Formula: C21H18ClN5O5 MolecularWeight: 455.85112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN5O5/c1-13-20(27(30)31)14(2)26(25-13)12-19(28)24-23-11-15-6-8-18(9-7-15)32-21(29)16-4-3-5-17(22)10-16/h3-11H,12H2,1-2H3,(H,24,28)/b23-11+