[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-methyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18ClN5O5 MolecularWeight: 431.82972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O5/c1-10(2)24-18-14(8-21-24)13(6-11(3)22-18)19(27)30-9-17(26)23-12-4-5-15(20)16(7-12)25(28)29/h4-8,10H,9H2,1-3H3,(H,23,26)