2-[3-[(6-methoxy-6-oxidanylidene-hexyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(6-methoxy-6-oxidanylidene-hexyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(6-methoxy-6-oxo-hexyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(6-methoxy-6-oxohexyl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(6-methoxy-6-oxohexyl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[(6-keto-6-methoxy-hexyl)amino]propyl]pyrazole-3-carboxylic acid Formula: C14H21N3O5 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCN1C(=CC=N1)C(=O)O

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCN1C(=CC=N1)C(=O)O

InChI

InChI=1S/C14H21N3O5/c1-22-13(19)5-3-2-4-8-15-12(18)7-10-17-11(14(20)21)6-9-16-17/h6,9H,2-5,7-8,10H2,1H3,(H,15,18)(H,20,21)