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

Systemtic Name: [2-[(3,4-dichlorophenyl)methyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate Openeye Name: [2-[(3,4-dichlorophenyl)methyl]-5-methyl-pyrazol-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(3,4-dichlorophenyl)methyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(3,4-dichlorobenzyl)-5-methyl-pyrazol-3-yl] ester Formula: C18H13Cl2N3O4 MolecularWeight: 406.21952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O4/c1-11-8-17(22(21-11)10-12-2-7-15(19)16(20)9-12)27-18(24)13-3-5-14(6-4-13)23(25)26/h2-9H,10H2,1H3