5-methyl-2-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]-1H-pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)vinyl]-1H-pyrazol-3-one CAS Name: 5-methyl-2-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-phenyl-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-[(E)-2-picrylvinyl]-3-pyrazolin-3-one Formula: C18H13N5O7 MolecularWeight: 411.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=CC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C/C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O7/c1-11-14(18(24)20(19-11)12-5-3-2-4-6-12)7-8-15-16(22(27)28)9-13(21(25)26)10-17(15)23(29)30/h2-10,19H,1H3/b8-7+