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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-nitrobenzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O4/c1-12-16(17(19)21(20-12)14-7-3-2-4-8-14)11-26-18(23)13-6-5-9-15(10-13)22(24)25/h2-10H,11H2,1H3