[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C18H17N5O6 MolecularWeight: 399.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C18H17N5O6/c1-10-13-6-11(8-19-17(13)22(2)21-10)18(25)29-9-16(24)20-14-5-4-12(23(26)27)7-15(14)28-3/h4-8H,9H2,1-3H3,(H,20,24)