3-[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[2-(2-bromoanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[[2-(2-bromoanilino)-2-keto-ethyl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H15BrN4O5 MolecularWeight: 459.2502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC(=O)NC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC(=O)NC3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C19H15BrN4O5/c20-13-7-3-4-8-14(13)22-15(25)9-21-16(26)10-24-18(27)12-6-2-1-5-11(12)17(23-24)19(28)29/h1-8H,9-10H2,(H,21,26)(H,22,25)(H,28,29)