3-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H15BrN4O6 MolecularWeight: 523.2924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C23H15BrN4O6/c24-17-12-14(28(33)34)10-11-18(17)25-21(29)20(13-6-2-1-3-7-13)27-22(30)16-9-5-4-8-15(16)19(26-27)23(31)32/h1-12,20H,(H,25,29)(H,31,32)