4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-6-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-6-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-6-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-6-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)N=CC4=CC5=C(C=C4Br)OCO5)N2

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)N=CC4=CC5=C(C=C4Br)OCO5)N2

InChI

InChI=1S/C22H16BrN3O3/c1-12-2-4-17-18(6-12)26-22(25-17)15-8-14(3-5-19(15)27)24-10-13-7-20-21(9-16(13)23)29-11-28-20/h2-10,25-26H,11H2,1H3