methyl 4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzoate Openeye Name: methyl 4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzoate CAS Name: 4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)CN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)CN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-20-12-4-3-9(13(17)21-2)5-10(12)7-15-8-11(6-14-15)16(18)19/h3-6,8H,7H2,1-2H3