4-[(S)-(2-ethoxynaphthalen-1-yl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate

Systemtic Name: 4-[(S)-(2-ethoxynaphthalen-1-yl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(2-ethoxy-1-naphthyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(2-ethoxy-1-naphthalenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(2-ethoxynaphthalen-1-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(2-ethoxy-1-naphthyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C21H21N4O3- MolecularWeight: 377.41644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C(C3=C(NNC3=O)C)C4=C(NN=C4[O-])C

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)[C@H](C3=C(NNC3=O)C)C4=C(NN=C4[O-])C

InChI

InChI=1S/C21H22N4O3/c1-4-28-15-10-9-13-7-5-6-8-14(13)18(15)19(16-11(2)22-24-20(16)26)17-12(3)23-25-21(17)27/h5-10,19H,4H2,1-3H3,(H2,22,24,26)(H2,23,25,27)/p-1