2-(7-bromanyl-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid

Systemtic Name: 2-(7-bromanyl-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid Openeye Name: 2-[7-bromo-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]propanedioic acid CAS Name: 2-[7-bromo-5-(2-pyridinyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]propanedioic acid IUPAC Name: 2-(7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid Traditional Name: 2-[7-bromo-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]malonic acid Formula: C17H12BrN3O4 MolecularWeight: 402.19888

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=O)O)C(=O)O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3

Isomeric SMILES

C1C(=C(C(=O)O)C(=O)O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3

InChI

InChI=1S/C17H12BrN3O4/c18-9-4-5-11-10(7-9)15(12-3-1-2-6-19-12)20-8-13(21-11)14(16(22)23)17(24)25/h1-7,21H,8H2,(H,22,23)(H,24,25)