[2-[1-(4-chloranyl-3-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [2-[1-(4-chloranyl-3-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,5-dinitrobenzoate Openeye Name: [2-[1-(4-chloro-3-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[1-(4-chloro-3-methylphenyl)ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(4-chloro-3-methylphenyl)ethyl]-5-methylpyrazol-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[1-(4-chloro-3-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)N2C(=CC(=N2)C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)N2C(=CC(=N2)C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C20H17ClN4O6/c1-11-6-14(4-5-18(11)21)13(3)23-19(7-12(2)22-23)31-20(26)15-8-16(24(27)28)10-17(9-15)25(29)30/h4-10,13H,1-3H3