2-[3-(benzo[f][1,3]benzoxazol-2-ylmethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(benzo[f][1,3]benzoxazol-2-ylmethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzo[f][1,3]benzoxazol-2-ylmethyl)-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(2-benzo[f][1,3]benzoxazolylmethyl)-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(benzo[f][1,3]benzoxazol-2-ylmethyl)-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(benzo[f][1,3]benzoxazol-2-ylmethyl)-4-keto-phthalazin-1-yl]acetic acid Formula: C22H15N3O4 MolecularWeight: 385.3722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)N=C(O3)CN4C(=O)C5=CC=CC=C5C(=N4)CC(=O)O

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)N=C(O3)CN4C(=O)C5=CC=CC=C5C(=N4)CC(=O)O

InChI

InChI=1S/C22H15N3O4/c26-21(27)11-17-15-7-3-4-8-16(15)22(28)25(24-17)12-20-23-18-9-13-5-1-2-6-14(13)10-19(18)29-20/h1-10H,11-12H2,(H,26,27)