2-[(6Z)-3-benzamido-2-oxidanylidene-3,4,5,8-tetrahydro-1,5-benzodiazecin-1-yl]ethanoic acid

Systemtic Name: 2-[(6Z)-3-benzamido-2-oxidanylidene-3,4,5,8-tetrahydro-1,5-benzodiazecin-1-yl]ethanoic acid Openeye Name: 2-[(6Z)-3-benzamido-2-oxo-3,4,5,8-tetrahydro-1,5-benzodiazecin-1-yl]acetic acid CAS Name: 2-[(6Z)-3-benzamido-2-oxo-3,4,5,8-tetrahydro-1,5-benzodiazecin-1-yl]acetic acid IUPAC Name: 2-[(6Z)-3-benzamido-2-oxo-3,4,5,8-tetrahydro-1,5-benzodiazecin-1-yl]acetic acid Traditional Name: 2-[(6Z)-3-benzamido-2-keto-3,4,5,8-tetrahydro-1,5-benzodiazecin-1-yl]acetic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CNCC(C(=O)N(C2=CC=CC=C21)CC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1/C=C\NCC(C(=O)N(C2=CC=CC=C21)CC(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c25-19(26)14-24-18-11-5-4-7-15(18)10-6-12-22-13-17(21(24)28)23-20(27)16-8-2-1-3-9-16/h1-9,11-12,17,22H,10,13-14H2,(H,23,27)(H,25,26)/b12-6-