3-[(Z)-1-bromanyl-2-(1H-1,3-diazepin-7-yl)ethenyl]benzoate

Systemtic Name: 3-[(Z)-1-bromanyl-2-(1H-1,3-diazepin-7-yl)ethenyl]benzoate Openeye Name: 3-[(Z)-1-bromo-2-(1H-1,3-diazepin-7-yl)vinyl]benzoate CAS Name: 3-[(Z)-1-bromo-2-(1H-1,3-diazepin-7-yl)ethenyl]benzoate IUPAC Name: 3-[(Z)-1-bromo-2-(1H-1,3-diazepin-7-yl)ethenyl]benzoate Traditional Name: 3-[(Z)-1-bromo-2-(1H-1,3-diazepin-7-yl)vinyl]benzoate Formula: C14H10BrN2O2- MolecularWeight: 318.1454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C(=CC2=CC=CN=CN2)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])/C(=C/C2=CC=CN=CN2)/Br

InChI

InChI=1S/C14H11BrN2O2/c15-13(8-12-5-2-6-16-9-17-12)10-3-1-4-11(7-10)14(18)19/h1-9H,(H,16,17)(H,18,19)/p-1/b13-8-