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

Systemtic Name: 3-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(2-bromoanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(2-bromoanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(2-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(2-bromoanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C17H11BrN3O4- MolecularWeight: 401.19094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3Br)C(=O)[O-]

InChI

InChI=1S/C17H12BrN3O4/c18-12-7-3-4-8-13(12)19-14(22)9-21-16(23)11-6-2-1-5-10(11)15(20-21)17(24)25/h1-8H,9H2,(H,19,22)(H,24,25)/p-1