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

Systemtic Name: ethyl 4-[3,5-dimethyl-4-(3-nitrophenyl)carbonyl-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[3,5-dimethyl-4-(3-nitrobenzoyl)pyrazol-1-yl]benzoate CAS Name: 4-[3,5-dimethyl-4-[(3-nitrophenyl)-oxomethyl]-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3,5-dimethyl-4-(3-nitrobenzoyl)pyrazol-1-yl]benzoate Traditional Name: 4-[3,5-dimethyl-4-(3-nitrobenzoyl)pyrazol-1-yl]benzoic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-4-29-21(26)15-8-10-17(11-9-15)23-14(3)19(13(2)22-23)20(25)16-6-5-7-18(12-16)24(27)28/h5-12H,4H2,1-3H3