4-(9-acetamido-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl)butanoic acid

Systemtic Name: 4-(9-acetamido-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl)butanoic acid Openeye Name: 4-(9-acetamido-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)butanoic acid CAS Name: 4-(9-acetamido-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)butanoic acid IUPAC Name: 4-(9-acetamido-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)butanoic acid Traditional Name: 4-(9-acetamido-3-keto-5,6-dihydrobenzo[h]cinnolin-2-yl)butyric acid Formula: C18H19N3O4 MolecularWeight: 341.36116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(CCC3=CC(=O)N(N=C32)CCCC(=O)O)C=C1

Isomeric SMILES

CC(=O)NC1=CC2=C(CCC3=CC(=O)N(N=C32)CCCC(=O)O)C=C1

InChI

InChI=1S/C18H19N3O4/c1-11(22)19-14-7-6-12-4-5-13-9-16(23)21(8-2-3-17(24)25)20-18(13)15(12)10-14/h6-7,9-10H,2-5,8H2,1H3,(H,19,22)(H,24,25)