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

Systemtic Name: methyl 4-[(5-methyl-3,4-dinitro-pyrazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(5-methyl-3,4-dinitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(5-methyl-3,4-dinitro-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methyl-3,4-dinitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(5-methyl-3,4-dinitro-pyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6/c1-8-11(16(19)20)12(17(21)22)14-15(8)7-9-3-5-10(6-4-9)13(18)23-2/h3-6H,7H2,1-2H3