1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CN2C=C(C=N2)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CN2C=C(C=N2)C(=O)O)OCC

InChI

InChI=1S/C18H23N3O5/c1-3-25-15-6-5-13(9-16(15)26-4-2)7-8-19-17(22)12-21-11-14(10-20-21)18(23)24/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,19,22)(H,23,24)