3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: 3-(benzofuran-2-yl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: 3-(2-benzofuranyl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 3-(benzofuran-2-yl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C21H15N5O4 MolecularWeight: 401.3749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C21H15N5O4/c22-10-3-11-25-13-17(21(27)23-15-6-8-16(9-7-15)26(28)29)20(24-25)19-12-14-4-1-2-5-18(14)30-19/h1-2,4-9,12-13H,3,11H2,(H,23,27)