ethyl 5-azanyl-1-(4-nitrophenyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(4-nitrophenyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(4-nitrophenyl)-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-nitrophenyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(4-nitrophenyl)-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-nitrophenyl)-3-(2-thienyl)pyrazole-4-carboxylic acid ethyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H14N4O4S/c1-2-24-16(21)13-14(12-4-3-9-25-12)18-19(15(13)17)10-5-7-11(8-6-10)20(22)23/h3-9H,2,17H2,1H3