[3-cyano-4-[(4-hydroxyphenyl)amino]-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid

Systemtic Name: [3-cyano-4-[(4-hydroxyphenyl)amino]-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Openeye Name: [3-cyano-4-(4-hydroxyanilino)-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid CAS Name: [3-cyano-4-(4-hydroxyanilino)-5-methyl-6-pyrrolo[1,2-b]pyridazinyl]carbamic acid IUPAC Name: [3-cyano-4-(4-hydroxyanilino)-5-methylpyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Traditional Name: [3-cyano-4-(4-hydroxyanilino)-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)O)C#N)NC3=CC=C(C=C3)O

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)O)C#N)NC3=CC=C(C=C3)O

InChI

InChI=1S/C16H13N5O3/c1-9-13(20-16(23)24)8-21-15(9)14(10(6-17)7-18-21)19-11-2-4-12(22)5-3-11/h2-5,7-8,19-20,22H,1H3,(H,23,24)