N-(2-chloranyl-5-nitro-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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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=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4/c1-13(2)14-3-6-16(7-4-14)29-12-24-10-9-18(23-24)20(26)22-19-11-15(25(27)28)5-8-17(19)21/h3-11,13H,12H2,1-2H3,(H,22,26)