ethyl 1-(6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl)-6-oxopyridazine-3-carboxylate Traditional Name: 1-(6-cyano-2,2-dimethyl-1,3-benzoxazin-4-yl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C18H16N4O4 MolecularWeight: 352.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1)C2=NC(OC3=C2C=C(C=C3)C#N)(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1)C2=NC(OC3=C2C=C(C=C3)C#N)(C)C

InChI

InChI=1S/C18H16N4O4/c1-4-25-17(24)13-6-8-15(23)22(21-13)16-12-9-11(10-19)5-7-14(12)26-18(2,3)20-16/h5-9H,4H2,1-3H3