(4Z)-5-(dimethylamino)-4-[(4-dimethylaminophenyl)-isocyano-methylidene]-2-methyl-pyrazol-3-one

Systemtic Name: (4Z)-5-(dimethylamino)-4-[(4-dimethylaminophenyl)-isocyano-methylidene]-2-methyl-pyrazol-3-one Openeye Name: (4Z)-5-(dimethylamino)-4-[(4-dimethylaminophenyl)-isocyano-methylene]-2-methyl-pyrazol-3-one CAS Name: (4Z)-5-(dimethylamino)-4-[(4-dimethylaminophenyl)-isocyanomethylidene]-2-methyl-3-pyrazolone IUPAC Name: (4Z)-5-(dimethylamino)-4-[(4-dimethylaminophenyl)-isocyanomethylidene]-2-methylpyrazol-3-one Traditional Name: (4Z)-5-(dimethylamino)-4-[(4-dimethylaminophenyl)-isocyano-methylene]-2-methyl-2-pyrazolin-3-one Formula: C16H19N5O MolecularWeight: 297.35496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C2=CC=C(C=C2)N(C)C)[N+]#[C-])C(=N1)N(C)C

Isomeric SMILES

CN1C(=O)/C(=C(/C2=CC=C(C=C2)N(C)C)\[N+]#[C-])/C(=N1)N(C)C

InChI

InChI=1S/C16H19N5O/c1-17-14(11-7-9-12(10-8-11)19(2)3)13-15(20(4)5)18-21(6)16(13)22/h7-10H,2-6H3/b14-13-