phenyl 6,7-bis(chloranyl)-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate

Systemtic Name: phenyl 6,7-bis(chloranyl)-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate Openeye Name: phenyl 6,7-dichloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate CAS Name: 6,7-dichloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylic acid phenyl ester IUPAC Name: phenyl 6,7-dichloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate Traditional Name: 6,7-dichloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylic acid phenyl ester Formula: C21H13Cl2N3O4 MolecularWeight: 442.25162

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=NN1C(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1C2=CC(=C(C=C2C(=NN1C(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C21H13Cl2N3O4/c22-18-10-14-12-25(21(27)30-16-4-2-1-3-5-16)24-20(17(14)11-19(18)23)13-6-8-15(9-7-13)26(28)29/h1-11H,12H2