ethyl 4-chloranyl-3-isocyano-7-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 4-chloranyl-3-isocyano-7-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 4-chloro-3-isocyano-7-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 4-chloro-3-isocyano-7-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-isocyano-7-methylpyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-chloro-3-isocyano-7-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C12H10ClN3O2 MolecularWeight: 263.6797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C1)C(=C(C=N2)[N+]#[C-])Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C1)C(=C(C=N2)[N+]#[C-])Cl)C

InChI

InChI=1S/C12H10ClN3O2/c1-4-18-12(17)8-5-10-11(13)9(14-3)6-15-16(10)7(8)2/h5-6H,4H2,1-2H3