[2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methylpyrazol-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] ester Formula: C19H15Cl2N3O4 MolecularWeight: 420.2461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H15Cl2N3O4/c1-11-9-18(28-19(25)13-3-6-15(7-4-13)24(26)27)23(22-11)12(2)14-5-8-16(20)17(21)10-14/h3-10,12H,1-2H3