2-[3-[(3-nitro-5-pyridin-3-yloxy-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(3-nitro-5-pyridin-3-yloxy-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[3-nitro-5-(3-pyridyloxy)anilino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[3-nitro-5-(3-pyridinyloxy)anilino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(3-nitro-5-pyridin-3-yloxyanilino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[3-nitro-5-(3-pyridyloxy)anilino]propyl]pyrazole-3-carboxylic acid Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C18H15N5O6/c24-17(4-7-22-16(18(25)26)3-6-20-22)21-12-8-13(23(27)28)10-15(9-12)29-14-2-1-5-19-11-14/h1-3,5-6,8-11H,4,7H2,(H,21,24)(H,25,26)