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

Systemtic Name: methyl 3-nitro-5-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H17N5O5/c1-10(2)22-16-13(8-20-22)5-14(9-19-16)21-17(24)11-4-12(18(25)28-3)7-15(6-11)23(26)27/h4-10H,1-3H3,(H,21,24)