methyl 3-nitro-4-pyrazol-1-yl-benzoate

Systemtic Name: methyl 3-nitro-4-pyrazol-1-yl-benzoate Openeye Name: methyl 3-nitro-4-pyrazol-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrazolyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-pyrazol-1-ylbenzoate Traditional Name: 3-nitro-4-pyrazol-1-yl-benzoic acid methyl ester Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4/c1-18-11(15)8-3-4-9(10(7-8)14(16)17)13-6-2-5-12-13/h2-7H,1H3