(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-1-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-1-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one Formula: C20H16ClN3O3 MolecularWeight: 381.81234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H16ClN3O3/c1-14-18(20(21)23(22-14)13-15-6-3-2-4-7-15)10-11-19(25)16-8-5-9-17(12-16)24(26)27/h2-12H,13H2,1H3/b11-10+