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

Systemtic Name: [2-[1-(3-chloranyl-4-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dinitrobenzoate Openeye Name: [2-[1-(3-chloro-4-methyl-phenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dinitrobenzoate CAS Name: 3,4-dinitrobenzoic acid [2-[1-(3-chloro-4-methylphenyl)ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3-chloro-4-methylphenyl)ethyl]-5-methylpyrazol-3-yl] 3,4-dinitrobenzoate Traditional Name: 3,4-dinitrobenzoic acid [2-[1-(3-chloro-4-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=C(C=C1)C(C)N2C(=CC(=N2)C)OC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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