3-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H13Br2N3O4 MolecularWeight: 495.12152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Br

InChI

InChI=1S/C18H13Br2N3O4/c1-9-6-12(19)16(13(20)7-9)21-14(24)8-23-17(25)11-5-3-2-4-10(11)15(22-23)18(26)27/h2-7H,8H2,1H3,(H,21,24)(H,26,27)