ethyl 5-azanyl-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(2,4-dinitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(2,4-dinitrophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C12H11N5O6 MolecularWeight: 321.24564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C12H11N5O6/c1-2-23-12(18)8-6-14-15(11(8)13)9-4-3-7(16(19)20)5-10(9)17(21)22/h3-6H,2,13H2,1H3