4-[4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]phenyl]-2-methyl-but-3-yn-2-ol Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=C(C=C2)C#CC(C)(C)O

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=C(C=C2)C#CC(C)(C)O

InChI

InChI=1S/C19H18N4O5/c1-13(15-6-4-14(5-7-15)10-11-19(2,3)24)20-21-17-9-8-16(22(25)26)12-18(17)23(27)28/h4-9,12,21,24H,1-3H3/b20-13+