4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-heptyl-carbonimidoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-heptyl-carbonimidoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-[(E)-N-(2,4-dinitroanilino)-C-heptyl-carbonimidoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 4-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]octyl]-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-[(E)-N-(2,4-dinitroanilino)-C-heptylcarbonimidoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-[(E)-N-(2,4-dinitroanilino)-C-heptyl-carbonimidoyl]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C24H28N6O5 MolecularWeight: 480.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCC/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H28N6O5/c1-3-4-5-6-10-13-21(23-17(2)27-28(24(23)31)18-11-8-7-9-12-18)26-25-20-15-14-19(29(32)33)16-22(20)30(34)35/h7-9,11-12,14-16,23,25H,3-6,10,13H2,1-2H3/b26-21+