3-(6H-1,2-benzodiazepin-5-yl)propanoic acid

Systemtic Name: 3-(6H-1,2-benzodiazepin-5-yl)propanoic acid Openeye Name: 3-(6H-1,2-benzodiazepin-5-yl)propanoic acid CAS Name: 3-(6H-1,2-benzodiazepin-5-yl)propanoic acid IUPAC Name: 3-(6H-1,2-benzodiazepin-5-yl)propanoic acid Traditional Name: 3-(6H-1,2-benzodiazepin-5-yl)propionic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C2C1=C(C=CN=N2)CCC(=O)O

Isomeric SMILES

C1C=CC=C2C1=C(C=CN=N2)CCC(=O)O

InChI

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