ethyl (2E)-2-[(3-ethoxy-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methylidene]indole-3-carboxylate

Systemtic Name: ethyl (2E)-2-[(3-ethoxy-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methylidene]indole-3-carboxylate Openeye Name: ethyl (2E)-2-[(3-ethoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylene]indole-3-carboxylate CAS Name: (2E)-2-[(3-ethoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(3-ethoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]indole-3-carboxylate Traditional Name: (2E)-2-[(3-ethoxy-5-keto-3-pyrazolin-4-yl)methylene]indole-3-carboxylic acid ethyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)NN1)C=C2C(=C3C=CC=CC3=N2)C(=O)OCC

Isomeric SMILES

CCOC1=C(C(=O)NN1)/C=C/2\C(=C3C=CC=CC3=N2)C(=O)OCC

InChI

InChI=1S/C17H17N3O4/c1-3-23-16-11(15(21)19-20-16)9-13-14(17(22)24-4-2)10-7-5-6-8-12(10)18-13/h5-9H,3-4H2,1-2H3,(H2,19,20,21)/b13-9+