5-[[(E)-[1-(4-bromanyl-2-methyl-phenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]isoindole-1,3-dione

Systemtic Name: 5-[[(E)-[1-(4-bromanyl-2-methyl-phenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]isoindole-1,3-dione Openeye Name: 5-[[(E)-[1-(4-bromo-2-methyl-phenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]isoindoline-1,3-dione CAS Name: 5-[[(E)-[1-(4-bromo-2-methylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]isoindole-1,3-dione IUPAC Name: 5-[[(E)-[1-(4-bromo-2-methylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]isoindole-1,3-dione Traditional Name: 5-[[(E)-[1-(4-bromo-2-methyl-phenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]isoindoline-1,3-quinone Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CNC3=CC4=C(C=C3)C(=O)NC4=O)C(=N2)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/NC3=CC4=C(C=C3)C(=O)NC4=O)/C(=N2)C

InChI

InChI=1S/C20H15BrN4O3/c1-10-7-12(21)3-6-17(10)25-20(28)16(11(2)24-25)9-22-13-4-5-14-15(8-13)19(27)23-18(14)26/h3-9,22H,1-2H3,(H,23,26,27)/b16-9+