methyl 2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: methyl 2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: methyl 2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 2-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-9-7-12(16(18)19)14-15(9)8-10-5-3-4-6-11(10)13(17)20-2/h3-7H,8H2,1-2H3