3-cyano-4-[[5-(methoxycarbamoyl)-2-methyl-phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 3-cyano-4-[[5-(methoxycarbamoyl)-2-methyl-phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-4-[5-(methoxycarbamoyl)-2-methyl-anilino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-4-[5-[(methoxyamino)-oxomethyl]-2-methylanilino]-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-4-[5-(methoxycarbamoyl)-2-methyl-anilino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C19H17N5O4 MolecularWeight: 379.36938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NOC)NC2=C(C=NN3C2=C(C(=C3)C(=O)O)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NOC)NC2=C(C=NN3C2=C(C(=C3)C(=O)O)C)C#N

InChI

InChI=1S/C19H17N5O4/c1-10-4-5-12(18(25)23-28-3)6-15(10)22-16-13(7-20)8-21-24-9-14(19(26)27)11(2)17(16)24/h4-6,8-9,22H,1-3H3,(H,23,25)(H,26,27)