3-[[5-ethoxy-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[5-ethoxy-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]amino]benzoic acid Openeye Name: 3-[(2-benzyl-5-ethoxy-3-oxo-pyridazin-4-yl)amino]benzoic acid CAS Name: 3-[[5-ethoxy-3-oxo-2-(phenylmethyl)-4-pyridazinyl]amino]benzoic acid IUPAC Name: 3-[(2-benzyl-5-ethoxy-3-oxopyridazin-4-yl)amino]benzoic acid Traditional Name: 3-[(2-benzyl-5-ethoxy-3-keto-pyridazin-4-yl)amino]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H19N3O4/c1-2-27-17-12-21-23(13-14-7-4-3-5-8-14)19(24)18(17)22-16-10-6-9-15(11-16)20(25)26/h3-12,22H,2,13H2,1H3,(H,25,26)