3-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(2-cyanoanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(2-cyanoanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(2-cyanoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(2-cyanoanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C18H11N4O4- MolecularWeight: 347.30434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C18H12N4O4/c19-9-11-5-1-4-8-14(11)20-15(23)10-22-17(24)13-7-3-2-6-12(13)16(21-22)18(25)26/h1-8H,10H2,(H,20,23)(H,25,26)/p-1