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

Systemtic Name: ethyl 3-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H17N5O5 MolecularWeight: 383.35808

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O5/c1-4-28-18(25)12-5-11(6-14(7-12)23(26)27)17(24)20-13-8-15-10(2)21-22(3)16(15)19-9-13/h5-9H,4H2,1-3H3,(H,20,24)