3-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C16H11ClN4O4 MolecularWeight: 358.73594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H11ClN4O4/c17-9-5-6-12(18-7-9)19-13(22)8-21-15(23)11-4-2-1-3-10(11)14(20-21)16(24)25/h1-7H,8H2,(H,24,25)(H,18,19,22)