N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-methyl-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propionamide Formula: C20H17ClN4O4 MolecularWeight: 412.82638

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN4O4/c1-13(11-24-12-16(10-22-24)25(28)29)20(27)23-18-8-7-15(21)9-17(18)19(26)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,23,27)