4-oxidanylidene-3-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]phthalazine-1-carboxylate Openeye Name: 3-[2-(allylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-(prop-2-enylamino)ethyl]phthalazine-1-carboxylate Traditional Name: 3-[2-(allylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C14H12N3O4- MolecularWeight: 286.26278

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

C=CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C14H13N3O4/c1-2-7-15-11(18)8-17-13(19)10-6-4-3-5-9(10)12(16-17)14(20)21/h2-6H,1,7-8H2,(H,15,18)(H,20,21)/p-1