(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C18H13Cl2N3O4 MolecularWeight: 406.21952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

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