5-[(3-bromanyl-5-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2,3-dihydrophthalazine-1,4-dione

Systemtic Name: 5-[(3-bromanyl-5-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2,3-dihydrophthalazine-1,4-dione Openeye Name: 5-[(3-bromo-5-tert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2,3-dihydrophthalazine-1,4-dione CAS Name: 5-[(3-bromo-5-tert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2,3-dihydrophthalazine-1,4-dione IUPAC Name: 5-[(3-bromo-5-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2,3-dihydrophthalazine-1,4-dione Traditional Name: 5-[(3-bromo-5-tert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-2,3-dihydrophthalazine-1,4-quinone Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=CNC2=CC=CC3=C2C(=O)NNC3=O)C1=O)Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=CNC2=CC=CC3=C2C(=O)NNC3=O)C1=O)Br

InChI

InChI=1S/C19H18BrN3O3/c1-19(2,3)13-8-11(20)7-10(16(13)24)9-21-14-6-4-5-12-15(14)18(26)23-22-17(12)25/h4-9,21H,1-3H3,(H,22,25)(H,23,26)