3-(2H-1,2-benzodiazepin-3-yl)propanoic acid

Systemtic Name: 3-(2H-1,2-benzodiazepin-3-yl)propanoic acid Openeye Name: 3-(2H-1,2-benzodiazepin-3-yl)propanoic acid CAS Name: 3-(2H-1,2-benzodiazepin-3-yl)propanoic acid IUPAC Name: 3-(2H-1,2-benzodiazepin-3-yl)propanoic acid Traditional Name: 3-(2H-1,2-benzodiazepin-3-yl)propionic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC=C(NN=C2C=C1)CCC(=O)O

Isomeric SMILES

C1=CC2=CC=C(NN=C2C=C1)CCC(=O)O

InChI

InChI=1S/C12H12N2O2/c15-12(16)8-7-10-6-5-9-3-1-2-4-11(9)14-13-10/h1-6,13H,7-8H2,(H,15,16)