4-(8-bromanyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid

Systemtic Name: 4-(8-bromanyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid Openeye Name: 4-(8-bromo-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid CAS Name: 4-(8-bromo-11-methyl-6-benzo[b][1,4]benzodiazepinyl)benzoic acid IUPAC Name: 4-(8-bromo-11-methylbenzo[b][1,4]benzodiazepin-6-yl)benzoic acid Traditional Name: 4-(8-bromo-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid Formula: C21H15BrN2O2 MolecularWeight: 407.26

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C(=NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C(=NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15BrN2O2/c1-24-18-11-10-15(22)12-16(18)20(23-17-4-2-3-5-19(17)24)13-6-8-14(9-7-13)21(25)26/h2-12H,1H3,(H,25,26)