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

Systemtic Name: 3-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C18H10ClN4O4- MolecularWeight: 381.7494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=CC(=C3)Cl)C#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=CC(=C3)Cl)C#N)C(=O)[O-]

InChI

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