4-[4-(4-chloranyl-3-nitro-phenyl)-1-oxidanylidene-phthalazin-2-yl]benzoic acid

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)-1-oxidanylidene-phthalazin-2-yl]benzoic acid Openeye Name: 4-[4-(4-chloro-3-nitro-phenyl)-1-oxo-phthalazin-2-yl]benzoic acid CAS Name: 4-[4-(4-chloro-3-nitrophenyl)-1-oxo-2-phthalazinyl]benzoic acid IUPAC Name: 4-[4-(4-chloro-3-nitrophenyl)-1-oxophthalazin-2-yl]benzoic acid Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)-1-keto-phthalazin-2-yl]benzoic acid Formula: C21H12ClN3O5 MolecularWeight: 421.79008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H12ClN3O5/c22-17-10-7-13(11-18(17)25(29)30)19-15-3-1-2-4-16(15)20(26)24(23-19)14-8-5-12(6-9-14)21(27)28/h1-11H,(H,27,28)