methyl 2-acetamido-3-[(2E)-2-[(3-ethoxy-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate

Systemtic Name: methyl 2-acetamido-3-[(2E)-2-[(3-ethoxy-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Openeye Name: methyl 2-acetamido-3-[(2E)-2-[(3-ethoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylene]indol-3-yl]propanoate CAS Name: 2-acetamido-3-[(2E)-2-[(3-ethoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(2E)-2-[(3-ethoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Traditional Name: 2-acetamido-3-[(2E)-2-[(3-ethoxy-5-keto-3-pyrazolin-4-yl)methylene]indol-3-yl]propionic acid methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-4-29-19-14(18(26)23-24-19)10-16-13(12-7-5-6-8-15(12)22-16)9-17(20(27)28-3)21-11(2)25/h5-8,10,17H,4,9H2,1-3H3,(H,21,25)(H2,23,24,26)/b16-10+