(E)-3-(2-chloranyl-5-nitro-phenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-chloranyl-5-nitro-phenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-chloro-5-nitro-phenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(2-chloro-5-nitrophenyl)-1-(1,3-dimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(2-chloro-5-nitrophenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-chloro-5-nitro-phenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Formula: C14H12ClN3O3 MolecularWeight: 305.71638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)C=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=NN(C=C1C(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C14H12ClN3O3/c1-9-12(8-17(2)16-9)14(19)6-3-10-7-11(18(20)21)4-5-13(10)15/h3-8H,1-2H3/b6-3+