ethyl 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate

Systemtic Name: ethyl 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate Openeye Name: ethyl 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate CAS Name: 3-[3,5-dimethyl-4-(3-nitrophenyl)-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate Traditional Name: 3-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoic acid ethyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=C(C(=N2)C)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=C(C(=N2)C)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O4/c1-4-27-20(24)16-8-6-9-17(12-16)22-14(3)19(13(2)21-22)15-7-5-10-18(11-15)23(25)26/h5-12H,4H2,1-3H3