[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-13(2)25-20-15(11-23-25)8-16(10-22-20)21(28)31-12-19(27)24-7-3-4-14-9-17(26(29)30)5-6-18(14)24/h5-6,8-11,13H,3-4,7,12H2,1-2H3