2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)butanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(4-ethoxy-2-nitrophenyl)butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)butyramide Formula: C17H21ClN4O4 MolecularWeight: 380.82604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)OCC)[N+](=O)[O-])N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)OCC)[N+](=O)[O-])N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C17H21ClN4O4/c1-5-14(21-11(4)16(18)10(3)20-21)17(23)19-13-8-7-12(26-6-2)9-15(13)22(24)25/h7-9,14H,5-6H2,1-4H3,(H,19,23)