2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C15H15N3O5/c19-14(4-6-18-11(15(20)21)3-5-16-18)17-10-1-2-12-13(9-10)23-8-7-22-12/h1-3,5,9H,4,6-8H2,(H,17,19)(H,20,21)