(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-methoxy-5-nitro-benzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-methoxy-5-nitro-benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O5/c1-12-16(18(20)22(21-12)13-6-4-3-5-7-13)11-28-19(24)15-10-14(23(25)26)8-9-17(15)27-2/h3-10H,11H2,1-2H3