[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H20ClN5O5 MolecularWeight: 493.8991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H20ClN5O5/c1-14(2)29-22-16(13-27-29)10-17(12-26-22)24(32)35-21(15-6-4-3-5-7-15)23(31)28-20-9-8-18(30(33)34)11-19(20)25/h3-14,21H,1-2H3,(H,28,31)