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

Systemtic Name: ethyl 3-isocyano-7-methyl-4-oxidanylidene-1H-pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-isocyano-7-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-isocyano-7-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-isocyano-7-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-isocyano-4-keto-7-methyl-1H-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C1)C(=O)C(=CN2)[N+]#[C-])C

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C1)C(=O)C(=CN2)[N+]#[C-])C

InChI

InChI=1S/C12H11N3O3/c1-4-18-12(17)8-5-10-11(16)9(13-3)6-14-15(10)7(8)2/h5-6,14H,4H2,1-2H3