5-chloranyl-3-methyl-1-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]pyrazole

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]pyrazole Openeye Name: 5-chloro-3-methyl-1-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)vinyl]pyrazole CAS Name: 5-chloro-3-methyl-1-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]pyrazole IUPAC Name: 5-chloro-3-methyl-1-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]pyrazole Traditional Name: 5-chloro-3-methyl-1-phenyl-4-[(E)-2-picrylvinyl]pyrazole Formula: C18H12ClN5O6 MolecularWeight: 429.77078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O6/c1-11-14(18(19)21(20-11)12-5-3-2-4-6-12)7-8-15-16(23(27)28)9-13(22(25)26)10-17(15)24(29)30/h2-10H,1H3/b8-7+