methyl 3-(4-ethoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-(4-ethoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-(4-ethoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-ethoxy-3-nitrophenyl)-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-ethoxy-3-nitrophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-ethoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-3-21-12-5-4-8(6-11(12)16(18)19)9-7-10(15-14-9)13(17)20-2/h4-7H,3H2,1-2H3,(H,14,15)