6-chloranyl-7-isocyano-2-methyl-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 6-chloranyl-7-isocyano-2-methyl-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Openeye Name: 6-chloro-7-isocyano-2-methyl-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one CAS Name: 6-chloro-7-isocyano-2-methyl-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one IUPAC Name: 6-chloro-7-isocyano-2-methyl-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Traditional Name: 6-chloro-7-isocyano-2-methyl-8-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Formula: C14H9ClN4O MolecularWeight: 284.70046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N2C(=C(C(=C2Cl)[N+]#[C-])C3=CC=CC=C3)N1

Isomeric SMILES

CC1=NC(=O)N2C(=C(C(=C2Cl)[N+]#[C-])C3=CC=CC=C3)N1

InChI

InChI=1S/C14H9ClN4O/c1-8-17-13-10(9-6-4-3-5-7-9)11(16-2)12(15)19(13)14(20)18-8/h3-7H,1H3,(H,17,18,20)