phenyl 6-chloranyl-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate

Systemtic Name: phenyl 6-chloranyl-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate Openeye Name: phenyl 6-chloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate CAS Name: 6-chloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylic acid phenyl ester IUPAC Name: phenyl 6-chloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate Traditional Name: 6-chloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylic acid phenyl ester Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)Cl)C(=NN1C(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=C(C=C(C=C2)Cl)C(=NN1C(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O4/c22-16-9-6-15-13-24(21(26)29-18-4-2-1-3-5-18)23-20(19(15)12-16)14-7-10-17(11-8-14)25(27)28/h1-12H,13H2