ethyl 5-azanyl-6-cyano-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-6-cyano-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: ethyl 5-amino-6-cyano-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 5-amino-6-cyano-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-6-cyano-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxylate Traditional Name: 5-amino-6-cyano-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxylic acid ethyl ester Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C1C=CC(=C2N)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C1C=CC(=C2N)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H16N4O4/c1-3-27-19(25)17-14-9-4-11(10-20)16(21)15(14)18(24)23(22-17)12-5-7-13(26-2)8-6-12/h4-9H,3,21H2,1-2H3