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

Systemtic Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]pyrazole-3-carboxylate Formula: C18H22N3O5- MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CN2C=CC(=N2)C(=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CN2C=CC(=N2)C(=O)[O-])OCC

InChI

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