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

Systemtic Name: 3-[4-(4-chloranyl-3-nitro-phenyl)-1-oxidanylidene-phthalazin-2-yl]benzoate Openeye Name: 3-[4-(4-chloro-3-nitro-phenyl)-1-oxo-phthalazin-2-yl]benzoate CAS Name: 3-[4-(4-chloro-3-nitrophenyl)-1-oxo-2-phthalazinyl]benzoate IUPAC Name: 3-[4-(4-chloro-3-nitrophenyl)-1-oxophthalazin-2-yl]benzoate Traditional Name: 3-[4-(4-chloro-3-nitro-phenyl)-1-keto-phthalazin-2-yl]benzoate Formula: C21H11ClN3O5- MolecularWeight: 420.78214

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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