3-[2-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethoxy]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethoxy]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethoxy]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethoxy]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C20H17N4O7- MolecularWeight: 425.37158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C20H18N4O7/c1-11-7-15(16(24(29)30)8-12(11)2)21-17(25)10-31-18(26)9-23-20(28)14-6-4-3-5-13(14)19(27)22-23/h3-8H,9-10H2,1-2H3,(H,21,25)(H,22,27)/p-1