methyl 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: methyl 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-9-13(17(19)20)10(2)16(15-9)8-11-5-4-6-12(7-11)14(18)21-3/h4-7H,8H2,1-3H3