2-[[(E)-(3-methyl-4-oxidanylidene-1-pyridin-2-yl-6,7-dihydroindazol-5-ylidene)methyl]amino]benzoate

Systemtic Name: 2-[[(E)-(3-methyl-4-oxidanylidene-1-pyridin-2-yl-6,7-dihydroindazol-5-ylidene)methyl]amino]benzoate Openeye Name: 2-[[(E)-[3-methyl-4-oxo-1-(2-pyridyl)-6,7-dihydroindazol-5-ylidene]methyl]amino]benzoate CAS Name: 2-[[(E)-[3-methyl-4-oxo-1-(2-pyridinyl)-6,7-dihydroindazol-5-ylidene]methyl]amino]benzoate IUPAC Name: 2-[[(E)-(3-methyl-4-oxo-1-pyridin-2-yl-6,7-dihydroindazol-5-ylidene)methyl]amino]benzoate Traditional Name: 2-[[(E)-[4-keto-3-methyl-1-(2-pyridyl)-6,7-dihydroindazol-5-ylidene]methyl]amino]benzoate Formula: C21H17N4O3- MolecularWeight: 373.38468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)C(=CNC3=CC=CC=C3C(=O)[O-])CC2)C4=CC=CC=N4

Isomeric SMILES

CC1=NN(C2=C1C(=O)/C(=C/NC3=CC=CC=C3C(=O)[O-])/CC2)C4=CC=CC=N4

InChI

InChI=1S/C21H18N4O3/c1-13-19-17(25(24-13)18-8-4-5-11-22-18)10-9-14(20(19)26)12-23-16-7-3-2-6-15(16)21(27)28/h2-8,11-12,23H,9-10H2,1H3,(H,27,28)/p-1/b14-12+