4-[(4-chloranyl-2-nitro-phenyl)amino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[(4-chloranyl-2-nitro-phenyl)amino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-(4-chloro-2-nitro-anilino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-(4-chloro-2-nitroanilino)-1-ethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-(4-chloro-2-nitroanilino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-(4-chloro-2-nitro-anilino)-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C15H12ClN5O4 MolecularWeight: 361.73988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H12ClN5O4/c1-2-20-14-9(7-18-20)13(10(6-17-14)15(22)23)19-11-4-3-8(16)5-12(11)21(24)25/h3-7H,2H2,1H3,(H,17,19)(H,22,23)