ethyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N3C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N3C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-4-30-20(27)15-8-14(9-17(10-15)25(28)29)19(26)22-16-5-6-18(21-11-16)24-13(3)7-12(2)23-24/h5-11H,4H2,1-3H3,(H,22,26)