methyl 4-[(3,4-dinitropyrazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(3,4-dinitropyrazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(3,4-dinitropyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,4-dinitro-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,4-dinitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,4-dinitropyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O6/c1-22-12(17)9-4-2-8(3-5-9)6-14-7-10(15(18)19)11(13-14)16(20)21/h2-5,7H,6H2,1H3