3-[[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid

Systemtic Name: 3-[[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid Openeye Name: 3-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid CAS Name: 3-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid IUPAC Name: 3-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid Traditional Name: 3-[[7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid Formula: C22H15BrClN3O3 MolecularWeight: 484.7298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NC4=CC=CC(=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NC4=CC=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C22H15BrClN3O3/c23-13-8-9-18-16(11-13)19(15-6-1-2-7-17(15)24)27-20(21(28)26-18)25-14-5-3-4-12(10-14)22(29)30/h1-11,20,25H,(H,26,28)(H,29,30)