3-[2-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethoxy]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethoxy]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethoxy]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethoxy]ethyl]phthalazin-1-olate Formula: C25H19N4O7- MolecularWeight: 487.44096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O7/c1-15-11-12-19(20(13-15)29(34)35)26-24(32)22(16-7-3-2-4-8-16)36-21(30)14-28-25(33)18-10-6-5-9-17(18)23(31)27-28/h2-13,22H,14H2,1H3,(H,26,32)(H,27,31)/p-1/t22-/m0/s1