6-(5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoic acid

Systemtic Name: 6-(5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoic acid Openeye Name: 6-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoic acid CAS Name: 6-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)-5-hexynoic acid IUPAC Name: 6-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoic acid Traditional Name: 6-(5-keto-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=CC=CC(=C2N1)C#CCCCC(=O)O

Isomeric SMILES

C1CNC(=O)C2=CC=CC(=C2N1)C#CCCCC(=O)O

InChI

InChI=1S/C15H16N2O3/c18-13(19)8-3-1-2-5-11-6-4-7-12-14(11)16-9-10-17-15(12)20/h4,6-7,16H,1,3,8-10H2,(H,17,20)(H,18,19)