ethyl 4-chloranyl-2-[4-(2-chloranyl-4-nitro-phenyl)-1H-pyrazol-5-yl]benzoate

Systemtic Name: ethyl 4-chloranyl-2-[4-(2-chloranyl-4-nitro-phenyl)-1H-pyrazol-5-yl]benzoate Openeye Name: ethyl 4-chloro-2-[4-(2-chloro-4-nitro-phenyl)-1H-pyrazol-5-yl]benzoate CAS Name: 4-chloro-2-[4-(2-chloro-4-nitrophenyl)-1H-pyrazol-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-[4-(2-chloro-4-nitrophenyl)-1H-pyrazol-5-yl]benzoate Traditional Name: 4-chloro-2-[4-(2-chloro-4-nitro-phenyl)-1H-pyrazol-5-yl]benzoic acid ethyl ester Formula: C18H13Cl2N3O4 MolecularWeight: 406.21952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)Cl)C2=C(C=NN2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)Cl)C2=C(C=NN2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13Cl2N3O4/c1-2-27-18(24)13-5-3-10(19)7-14(13)17-15(9-21-22-17)12-6-4-11(23(25)26)8-16(12)20/h3-9H,2H2,1H3,(H,21,22)