2-[3-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[1-(ethoxymethyl)-4-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H17N5O4 MolecularWeight: 307.30518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=C(C=N1)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCOCN1C=C(C=N1)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C13H17N5O4/c1-2-22-9-17-8-10(7-15-17)16-12(19)4-6-18-11(13(20)21)3-5-14-18/h3,5,7-8H,2,4,6,9H2,1H3,(H,16,19)(H,20,21)