[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C22H21N3O4/c1-14(2)25-19(11-12-23-25)24-20(26)13-28-22(27)21-15-7-3-5-9-17(15)29-18-10-6-4-8-16(18)21/h3-12,14,21H,13H2,1-2H3,(H,24,26)