ethyl 1,3-dimethyl-4-[(3-nitrophenyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 1,3-dimethyl-4-[(3-nitrophenyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1,3-dimethyl-4-(3-nitroanilino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-4-(3-nitroanilino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dimethyl-4-(3-nitroanilino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethyl-4-(3-nitroanilino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=CC(=CC=C3)[N+](=O)[O-])C(=NN2C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=CC(=CC=C3)[N+](=O)[O-])C(=NN2C)C

InChI

InChI=1S/C17H17N5O4/c1-4-26-17(23)13-9-18-16-14(10(2)20-21(16)3)15(13)19-11-6-5-7-12(8-11)22(24)25/h5-9H,4H2,1-3H3,(H,18,19)