3-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-2-cyano-N-(5-methyl-2-phenyl-pyrazol-3-yl)prop-2-enamide

Systemtic Name: 3-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-2-cyano-N-(5-methyl-2-phenyl-pyrazol-3-yl)prop-2-enamide Openeye Name: 3-(5-chloro-2-hydroxy-3-nitro-phenyl)-2-cyano-N-(5-methyl-2-phenyl-pyrazol-3-yl)prop-2-enamide CAS Name: 3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-cyano-N-(5-methyl-2-phenyl-3-pyrazolyl)-2-propenamide IUPAC Name: 3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide Traditional Name: 3-(5-chloro-2-hydroxy-3-nitro-phenyl)-2-cyano-N-(5-methyl-2-phenyl-pyrazol-3-yl)acrylamide Formula: C20H14ClN5O4 MolecularWeight: 423.80926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Cl)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Cl)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H14ClN5O4/c1-12-7-18(25(24-12)16-5-3-2-4-6-16)23-20(28)14(11-22)8-13-9-15(21)10-17(19(13)27)26(29)30/h2-10,27H,1H3,(H,23,28)