[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C18H11ClN4O4 MolecularWeight: 382.75734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C18H11ClN4O4/c19-11-6-5-10(8-20)14(7-11)21-15(24)9-27-18(26)16-12-3-1-2-4-13(12)17(25)23-22-16/h1-7H,9H2,(H,21,24)(H,23,25)