N-(2-cyano-4-nitro-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H19N5O4/c1-14(2)15-3-6-18(7-4-15)30-13-25-10-9-20(24-25)21(27)23-19-8-5-17(26(28)29)11-16(19)12-22/h3-11,14H,13H2,1-2H3,(H,23,27)