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

Systemtic Name: ethyl 6,7-bis(chloranyl)-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate Openeye Name: ethyl 6,7-dichloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate CAS Name: 6,7-dichloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylate Traditional Name: 6,7-dichloro-4-(4-nitrophenyl)-1H-phthalazine-2-carboxylic acid ethyl ester Formula: C17H13Cl2N3O4 MolecularWeight: 394.20882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCOC(=O)N1CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C17H13Cl2N3O4/c1-2-26-17(23)21-9-11-7-14(18)15(19)8-13(11)16(20-21)10-3-5-12(6-4-10)22(24)25/h3-8H,2,9H2,1H3