2-[[3,4-bis(bromanyl)phenyl]methyl]-1H-1,2,4,6-tetrazepin-7-one

Systemtic Name: 2-[[3,4-bis(bromanyl)phenyl]methyl]-1H-1,2,4,6-tetrazepin-7-one Openeye Name: 2-[(3,4-dibromophenyl)methyl]-1H-1,2,4,6-tetrazepin-7-one CAS Name: 2-[(3,4-dibromophenyl)methyl]-1H-1,2,4,6-tetrazepin-7-one IUPAC Name: 2-[(3,4-dibromophenyl)methyl]-1H-1,2,4,6-tetrazepin-7-one Traditional Name: 2-(3,4-dibromobenzyl)-1H-1,2,4,6-tetrazepin-7-one Formula: C10H8Br2N4O MolecularWeight: 360.00472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=NC=NC(=O)N2)Br)Br

Isomeric SMILES

C1=CC(=C(C=C1CN2C=NC=NC(=O)N2)Br)Br

InChI

InChI=1S/C10H8Br2N4O/c11-8-2-1-7(3-9(8)12)4-16-6-13-5-14-10(17)15-16/h1-3,5-6H,4H2,(H,15,17)