ethyl 3-nitro-5-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]benzoate Openeye Name: ethyl 3-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]benzoate Traditional Name: 3-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C3C(=C2)C=NN3C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C3C(=C2)C=NN3C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5/c1-4-29-19(26)13-5-12(7-16(8-13)24(27)28)18(25)22-15-6-14-9-21-23(11(2)3)17(14)20-10-15/h5-11H,4H2,1-3H3,(H,22,25)