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

Systemtic Name: 3-[2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[(2-keto-2-methoxy-ethyl)amino]ethyl]phthalazine-1-carboxylate Formula: C14H12N3O6- MolecularWeight: 318.26158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6/c1-23-11(19)6-15-10(18)7-17-13(20)9-5-3-2-4-8(9)12(16-17)14(21)22/h2-5H,6-7H2,1H3,(H,15,18)(H,21,22)/p-1